[email protected]
CAS 1185299-87-9 C-(2-Methyl-2H-pyrazol-3-yl)-methylaminedihydrochloride molecular structure lightbox
CAS RN: 1185299-87-9

C-(2-Methyl-2H-pyrazol-3-yl)-methylaminedihydrochloride

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260131 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1185299-87-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1185299-87-9 / (2-methylpyrazol-3-yl)methanamine;dihydrochloride

1-(1-methyl-1H-pyrazol-5-yl)methanamine dihydrochloride | RefChem:419833 | 848-477-1

Standard CAS: 1185299-87-9 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1185299-87-9
Multi CAS
Yes
Molecular Formula
C5H11Cl2N3
Molecular Weight
184.060000
Exact Mass
183.033003
SMILES
CN1C(=CC=N1)CN.Cl.Cl
InChI
InChI=1S/C5H9N3.2ClH/c1-8-5(4-6)2-3-7-8;;/h2-3H,4,6H2,1H3;2*1H
InChIKey
IBVDXCPXZDTYHJ-UHFFFAOYSA-N
Synonyms
1-(1-methyl-1H-pyrazol-5-yl)methanamine dihydrochloride RefChem:419833 848-477-1 C-(2-Methyl-2H-pyrazol-3-yl)-methylaminedihydrochloride (1-Methyl-1h-pyrazol-5-yl)methanamine dihydrochloride

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.6
TPSA
43.84

LogP / Solubility

WLOGP
0.72
MLOGP
0.63
XLogP3
0.72
Consensus LogP
0.69
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-1.59
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.58
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)
-3.33

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
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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us