1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-amine;hydrochloride

C12H15Cl2N3 — CID 45052778

IUPAC1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-amine;hydrochloride
SMILESCc1nn(Cc2ccc(Cl)cc2)c(C)c1N.Cl
InChIInChI=1S/C12H14ClN3.ClH/c1-8-12(14)9(2)16(15-8)7-10-3-5-11(13)6-4-10;/h3-6H,7,14H2,1-2H3;1H
InChIKeyQARNQVYQPHLUPW-UHFFFAOYSA-N
MW272.18 g/mol
LogP3.21
Rot. Bonds2

About 1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-amine;hydrochloride

1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-amine;hydrochloride (PubChem CID 45052778) has the molecular formula C12H15Cl2N3 and a molecular weight of 272.18 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-amine;hydrochloride
PubChem CID45052778
Molecular FormulaC12H15Cl2N3
Molecular Weight272.18 g/mol
Exact Mass271.06
IUPAC Name1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-amine;hydrochloride
SMILESCc1nn(Cc2ccc(Cl)cc2)c(C)c1N.Cl
InChIInChI=1S/C12H14ClN3.ClH/c1-8-12(14)9(2)16(15-8)7-10-3-5-11(13)6-4-10;/h3-6H,7,14H2,1-2H3;1H
InChIKeyQARNQVYQPHLUPW-UHFFFAOYSA-N
XLogP3.21
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.18
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-amine;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

3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-amine
CID 571135
1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-amine;hydrochloride
CID 90484280
4-[(4-amino-3,5-dimethylpyrazol-1-yl)methyl]benzoic acid;hydrochloride
CID 90484252
1-[(4-ethoxyphenyl)methyl]-3,5-dimethylpyrazol-4-amine
CID 82294764
2-[(4-chlorophenyl)methyl]-4,5-dimethylpyrazol-3-amine
CID 63279074
1-benzyl-3-methylpyrazole-4,5-diamine;dihydrochloride
CID 18769494
3,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-amine
CID 61311263
1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-amine
CID 7019295
2-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanoic acid
CID 63278520
3-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-ethylpropan-1-amine
CID 79224763
4-[(4-amino-3,5-dimethylpyrazol-1-yl)methyl]-3-chlorobenzonitrile
CID 102665194
1-[(3-chloro-4-fluorophenoxy)methyl]-3,5-dimethylpyrazol-4-amine
CID 19618490

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-amine;hydrochloride?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-amine;hydrochloride (CID 45052778) is 1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-amine;hydrochloride.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-amine;hydrochloride?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-amine;hydrochloride is Cc1nn(Cc2ccc(Cl)cc2)c(C)c1N.Cl.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-amine;hydrochloride?
The InChIKey is QARNQVYQPHLUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3.ClH/c1-8-12(14)9(2)16(15-8)7-10-3-5-11(13)6-4-10;/h3-6H,7,14H2,1-2H3;1H.
What are the key properties of 1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-amine;hydrochloride?
1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-amine;hydrochloride has a molecular weight of 272.18 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-amine;hydrochloride is sourced from PubChem (CID 45052778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).