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CAS 1171319-69-9 1-(2,2-difluoroethyl)-1H-pyrazol-5-amine molecular structure lightbox
CAS RN: 1171319-69-9

1-(2,2-difluoroethyl)-1H-pyrazol-5-amine

  • Product code: SSC-016977
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • 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 1171319-69-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Hong Kong Inquiry
0.25g ≥95% 1 In Stock Shenzhen Inquiry
1g ≥95% 1 In Stock Beijing Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

1171319-69-9 / 2-(2,2-difluoroethyl)pyrazol-3-amine

1-(2,2-difluoroethyl)-1H-pyrazol-5-amine | RefChem:420216 | 832-688-0

Standard CAS: 1171319-69-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1171319-69-9
Multi CAS
No
Molecular Formula
C5H7F2N3
Molecular Weight
147.130000
Exact Mass
147.060804
SMILES
C1=C(N(N=C1)CC(F)F)N
InChI
InChI=1S/C5H7F2N3/c6-4(7)3-10-5(8)1-2-9-10/h1-2,4H,3,8H2
InChIKey
MMXDSDQGLBYPMG-UHFFFAOYSA-N
Synonyms
1-(2,2-difluoroethyl)-1H-pyrazol-5-amine RefChem:420216 832-688-0 2-(2,2-difluoroethyl)pyrazol-3-amine MFCD09701580

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
32.64
TPSA
43.84

LogP / Solubility

WLOGP
0.73
MLOGP
0.64
XLogP3
0.7
Consensus LogP
0.69
Log S (ESOL)
-1.45
Class (ESOL)
Soluble
Log S (Ali)
-1.29
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.46
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)
-3.1

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)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

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