5-(cyclohexylmethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine

C17H23N3 — CID 62829064

IUPAC5-(cyclohexylmethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
SMILESCc1cccc(-c2c(N)n[nH]c2CC2CCCCC2)c1
InChIInChI=1S/C17H23N3/c1-12-6-5-9-14(10-12)16-15(19-20-17(16)18)11-13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11H2,1H3,(H3,18,19,20)
InChIKeySHJPIRXFWMMSAN-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.09
Rot. Bonds3

About 5-(cyclohexylmethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine

5-(cyclohexylmethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine (PubChem CID 62829064) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 5-(cyclohexylmethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(cyclohexylmethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
PubChem CID62829064
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name5-(cyclohexylmethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
SMILESCc1cccc(-c2c(N)n[nH]c2CC2CCCCC2)c1
InChIInChI=1S/C17H23N3/c1-12-6-5-9-14(10-12)16-15(19-20-17(16)18)11-13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11H2,1H3,(H3,18,19,20)
InChIKeySHJPIRXFWMMSAN-UHFFFAOYSA-N
XLogP4.09
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-(cyclohexylmethyl)-4-(3-methylphenyl)-1H-pyrazol-3-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

5-(cycloheptylmethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
CID 114458043
4-(3-chlorophenyl)-5-(cyclobutylmethyl)-1H-pyrazol-3-amine
CID 103163943
5-(cyclohexylmethyl)-4-(3,5-difluorophenyl)-1H-pyrazol-3-amine
CID 61496781
5-(cyclobutylmethyl)-4-(3-methylphenyl)-1,2-oxazol-3-amine
CID 103167445
5-(cyclobutylmethyl)-4-(2,6-dichlorophenyl)-1H-pyrazol-3-amine
CID 103163941
5-hexyl-4-(3-methylphenyl)-1H-pyrazol-3-amine
CID 114752939
5-(2-ethoxyethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
CID 62830117
4-(3-methylphenyl)-5-(4-methylphenyl)-1H-pyrazol-3-amine
CID 62829235
5-(cyclobutylmethyl)-4-(2-methoxyphenyl)-1H-pyrazol-3-amine
CID 103163957
5-(cyclopropylmethyl)-4-pyridin-2-yl-1H-pyrazol-3-amine
CID 80521154
5-(cycloheptylmethyl)-4-fluoro-1H-pyrazol-3-amine
CID 165499339
5-(2-cyclopentylethyl)-4-(3,4-dichlorophenyl)-1H-pyrazol-3-amine
CID 63525732

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(cyclohexylmethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine (CID 62829064) is 5-(cyclohexylmethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(cyclohexylmethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(cyclohexylmethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine is Cc1cccc(-c2c(N)n[nH]c2CC2CCCCC2)c1.
What is the InChIKey of 5-(cyclohexylmethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine?
The InChIKey is SHJPIRXFWMMSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-12-6-5-9-14(10-12)16-15(19-20-17(16)18)11-13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11H2,1H3,(H3,18,19,20).
What are the key properties of 5-(cyclohexylmethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine?
5-(cyclohexylmethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine has a molecular weight of 269.39 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 62829064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).