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CAS 110860-60-1 Methyl 5-aMino-1-Methyl-1H-pyrazole-4-carboxylate molecular structure lightbox
CAS RN: 110860-60-1

Methyl 5-aMino-1-Methyl-1H-pyrazole-4-carboxylate

  • Product code: SSC-011790
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 110860-60-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

110860-60-1 / methyl 5-amino-1-methylpyrazole-4-carboxylate

Methyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate | DTXSID50568923 | RefChem:355963

Standard CAS: 110860-60-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
110860-60-1
Multi CAS
Yes
Molecular Formula
C6H9N3O2
Molecular Weight
155.150000
Exact Mass
155.069477
SMILES
CN1C(=C(C=N1)C(=O)OC)N
InChI
InChI=1S/C6H9N3O2/c1-9-5(7)4(3-8-9)6(10)11-2/h3H,7H2,1-2H3
InChIKey
UTGQTDLLIDYCAB-UHFFFAOYSA-N
Synonyms
Methyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate DTXSID50568923 RefChem:355963 DTXCID50519697 865-333-3

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
38.96
TPSA
70.14

LogP / Solubility

WLOGP
-0.21
MLOGP
-0.19
XLogP3
0.3
Consensus LogP
-0.03
Log S (ESOL)
-0.94
Class (ESOL)
Very soluble
Log S (Ali)
-0.68
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.61
Class (SILICOS-IT)
Very 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)
-3.82

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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