1-(4-chlorophenyl)-3-propylpyrazol-5-amine

C12H14ClN3 — CID 82083521

IUPAC1-(4-chlorophenyl)-3-propylpyrazol-5-amine
SMILESCCCc1cc(N)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C12H14ClN3/c1-2-3-10-8-12(14)16(15-10)11-6-4-9(13)5-7-11/h4-8H,2-3,14H2,1H3
InChIKeyFYCMCONRSNATQX-UHFFFAOYSA-N
MW235.72 g/mol
LogP3.06
Rot. Bonds3

About 1-(4-chlorophenyl)-3-propylpyrazol-5-amine

1-(4-chlorophenyl)-3-propylpyrazol-5-amine (PubChem CID 82083521) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-propylpyrazol-5-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-propylpyrazol-5-amine
PubChem CID82083521
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name1-(4-chlorophenyl)-3-propylpyrazol-5-amine
SMILESCCCc1cc(N)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C12H14ClN3/c1-2-3-10-8-12(14)16(15-10)11-6-4-9(13)5-7-11/h4-8H,2-3,14H2,1H3
InChIKeyFYCMCONRSNATQX-UHFFFAOYSA-N
XLogP3.06
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenyl)-3-propylpyrazol-5-amine 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-(4-tert-butylphenyl)-3-propylpyrazol-5-amine
CID 82089365
1-(3-bromo-4-methylphenyl)-3-propylpyrazol-5-amine
CID 82094414
3-butyl-1-(4-fluorophenyl)pyrazol-5-amine
CID 82082766
1-(2-fluorophenyl)-3-propylpyrazol-5-amine
CID 82079514
3-heptyl-1-phenylpyrazol-5-amine
CID 43336725
1-(4-chlorophenyl)-3-propan-2-ylpyrazol-5-amine
CID 43381271
[1-(4-chlorophenyl)-5-ethylpyrazol-3-yl]methanamine
CID 115041268
4-(5-amino-3-butylpyrazol-1-yl)-2-chlorobenzoic acid
CID 137427954
ethyl 4-(5-amino-3-butylpyrazol-1-yl)benzoate
CID 143256280
5-(2-aminoethyl)-1-(4-chlorophenyl)pyrazol-3-amine
CID 83868883
3-butyl-1-pyridin-3-ylpyrazol-5-amine
CID 174520320
[1-(4-chlorophenyl)-5-propyltriazol-4-yl]methanamine
CID 82200808

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-propylpyrazol-5-amine?
The IUPAC name of 1-(4-chlorophenyl)-3-propylpyrazol-5-amine (CID 82083521) is 1-(4-chlorophenyl)-3-propylpyrazol-5-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-3-propylpyrazol-5-amine?
The canonical SMILES for 1-(4-chlorophenyl)-3-propylpyrazol-5-amine is CCCc1cc(N)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-3-propylpyrazol-5-amine?
The InChIKey is FYCMCONRSNATQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-2-3-10-8-12(14)16(15-10)11-6-4-9(13)5-7-11/h4-8H,2-3,14H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-3-propylpyrazol-5-amine?
1-(4-chlorophenyl)-3-propylpyrazol-5-amine has a molecular weight of 235.72 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-propylpyrazol-5-amine is sourced from PubChem (CID 82083521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).