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CAS 1063734-49-5 1-Methyl-1H-pyrazol-4-aMine dihydrochloride molecular structure lightbox
CAS RN: 1063734-49-5

1-Methyl-1H-pyrazol-4-aMine dihydrochloride

  • Product code: SSC-008063
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 10g, 25g, 5g, 100g, 1000g
  • Available purity: ≥97%
  • Inventory rows with stock: 10
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1063734-49-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 5 In Stock Hong Kong Inquiry
1g ≥97% 5 In Stock Beijing Inquiry
10g -- 5 In Stock Hong Kong Inquiry
10g ≥97% 5 In Stock Beijing Inquiry
25g -- 5 In Stock Beijing Inquiry
25g ≥97% 5 In Stock Beijing Inquiry
5g -- 4 In Stock Hong Kong Inquiry
5g ≥97% 4 In Stock Shanghai Inquiry
100g -- 1 In Stock Shenzhen Inquiry
100g ≥97% 1 In Stock Beijing Inquiry
1000g -- 0 Out of Stock Shenzhen Inquiry

1063734-49-5 / 1-methylpyrazol-4-amine;dihydrochloride

1-Methyl-1H-pyrazol-4-amine dihydrochloride | RefChem:433876 | 820-307-0

Standard CAS: 1063734-49-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1063734-49-5
Multi CAS
No
Molecular Formula
C4H9Cl2N3
Molecular Weight
170.040000
Exact Mass
169.017353
SMILES
CN1C=C(C=N1)N.Cl.Cl
InChI
InChI=1S/C4H7N3.2ClH/c1-7-3-4(5)2-6-7;;/h2-3H,5H2,1H3;2*1H
InChIKey
HEFHQCFTJGKPMD-UHFFFAOYSA-N
Synonyms
1-Methyl-1H-pyrazol-4-amine dihydrochloride RefChem:433876 820-307-0 1-Methyl-1H-pyrazol-4-ylamine dihydrochloride MFCD09025437

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.25
H-bond acceptors
3
H-bond donors
1
Molar refractivity
42.12
TPSA
43.84

LogP / Solubility

WLOGP
0.85
MLOGP
0.74
XLogP3
0.85
Consensus LogP
0.81
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-1.57
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.47
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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