3-amino-1-methylpyrazole-5-carbonitrile;hydrochloride

C5H7ClN4 — CID 138040044

IUPAC3-amino-1-methylpyrazole-5-carbonitrile;hydrochloride
SMILESCl.Cn1nc(N)cc1C#N
InChIInChI=1S/C5H6N4.ClH/c1-9-4(3-6)2-5(7)8-9;/h2H,1H3,(H2,7,8);1H
InChIKeyMWIVWUBZHLOTRB-UHFFFAOYSA-N
MW158.59 g/mol
LogP0.30
Rot. Bonds

About 3-amino-1-methylpyrazole-5-carbonitrile;hydrochloride

3-amino-1-methylpyrazole-5-carbonitrile;hydrochloride (PubChem CID 138040044) has the molecular formula C5H7ClN4 and a molecular weight of 158.59 g/mol. Its IUPAC name is 3-amino-1-methylpyrazole-5-carbonitrile;hydrochloride.

Molecular Properties

Compound Name3-amino-1-methylpyrazole-5-carbonitrile;hydrochloride
PubChem CID138040044
Molecular FormulaC5H7ClN4
Molecular Weight158.59 g/mol
Exact Mass158.04
IUPAC Name3-amino-1-methylpyrazole-5-carbonitrile;hydrochloride
SMILESCl.Cn1nc(N)cc1C#N
InChIInChI=1S/C5H6N4.ClH/c1-9-4(3-6)2-5(7)8-9;/h2H,1H3,(H2,7,8);1H
InChIKeyMWIVWUBZHLOTRB-UHFFFAOYSA-N
XLogP0.30
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.59
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-amino-1-methylpyrazole-5-carbonitrile;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-Dimethyl-1H-pyrazol-5-amine
CID 520721
1-Isopropyl-3-methyl-1H-pyrazol-5-amine
CID 121018
1-Ethyl-3-methyl-1H-pyrazol-5-amine
CID 2768383
(E)-3-(5-amino-3-methylpyrazol-1-yl)but-2-enenitrile
CID 854933
1,5-dimethyl-1H-pyrazol-3-amine
CID 7017747
5-amino-1,3-dimethyl-1H-pyrazole-4-carbonitrile
CID 219870
5-Methyl-1-(1-methylethyl)-1H-pyrazol-3-amine
CID 7176029
3-Methyl-1-propyl-1H-pyrazol-5-amine
CID 1094292
3-(5-amino-3-methyl-1H-pyrazol-1-yl)propanenitrile
CID 2328311
1-ethyl-5-methyl-1H-pyrazol-3-amine
CID 6485384
5-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-amine
CID 19622835
1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 19623303

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methylpyrazole-5-carbonitrile;hydrochloride?
The IUPAC name of 3-amino-1-methylpyrazole-5-carbonitrile;hydrochloride (CID 138040044) is 3-amino-1-methylpyrazole-5-carbonitrile;hydrochloride.
What is the SMILES notation for 3-amino-1-methylpyrazole-5-carbonitrile;hydrochloride?
The canonical SMILES for 3-amino-1-methylpyrazole-5-carbonitrile;hydrochloride is Cl.Cn1nc(N)cc1C#N.
What is the InChIKey of 3-amino-1-methylpyrazole-5-carbonitrile;hydrochloride?
The InChIKey is MWIVWUBZHLOTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4.ClH/c1-9-4(3-6)2-5(7)8-9;/h2H,1H3,(H2,7,8);1H.
What are the key properties of 3-amino-1-methylpyrazole-5-carbonitrile;hydrochloride?
3-amino-1-methylpyrazole-5-carbonitrile;hydrochloride has a molecular weight of 158.59 g/mol, XLogP of 0.30, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methylpyrazole-5-carbonitrile;hydrochloride is sourced from PubChem (CID 138040044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).