3-chloro-5-methyl-1H-pyrazol-4-amine

C4H6ClN3 — CID 55291507

IUPAC3-chloro-5-methyl-1H-pyrazol-4-amine
SMILESCc1[nH]nc(Cl)c1N
InChIInChI=1S/C4H6ClN3/c1-2-3(6)4(5)8-7-2/h6H2,1H3,(H,7,8)
InChIKeySKBSRHSFJZNXDK-UHFFFAOYSA-N
MW131.57 g/mol
LogP0.95
Rot. Bonds

About 3-chloro-5-methyl-1H-pyrazol-4-amine

3-chloro-5-methyl-1H-pyrazol-4-amine (PubChem CID 55291507) has the molecular formula C4H6ClN3 and a molecular weight of 131.57 g/mol. Its IUPAC name is 3-chloro-5-methyl-1H-pyrazol-4-amine.

Molecular Properties

Compound Name3-chloro-5-methyl-1H-pyrazol-4-amine
PubChem CID55291507
Molecular FormulaC4H6ClN3
Molecular Weight131.57 g/mol
Exact Mass131.03
IUPAC Name3-chloro-5-methyl-1H-pyrazol-4-amine
SMILESCc1[nH]nc(Cl)c1N
InChIInChI=1S/C4H6ClN3/c1-2-3(6)4(5)8-7-2/h6H2,1H3,(H,7,8)
InChIKeySKBSRHSFJZNXDK-UHFFFAOYSA-N
XLogP0.95
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.57
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-chloro-5-methyl-1H-pyrazol-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methyl-1H-pyrazol-4-amine?
The IUPAC name of 3-chloro-5-methyl-1H-pyrazol-4-amine (CID 55291507) is 3-chloro-5-methyl-1H-pyrazol-4-amine.
What is the SMILES notation for 3-chloro-5-methyl-1H-pyrazol-4-amine?
The canonical SMILES for 3-chloro-5-methyl-1H-pyrazol-4-amine is Cc1[nH]nc(Cl)c1N.
What is the InChIKey of 3-chloro-5-methyl-1H-pyrazol-4-amine?
The InChIKey is SKBSRHSFJZNXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClN3/c1-2-3(6)4(5)8-7-2/h6H2,1H3,(H,7,8).
What are the key properties of 3-chloro-5-methyl-1H-pyrazol-4-amine?
3-chloro-5-methyl-1H-pyrazol-4-amine has a molecular weight of 131.57 g/mol, XLogP of 0.95, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methyl-1H-pyrazol-4-amine is sourced from PubChem (CID 55291507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).