3-[2-(3,3-dimethylcyclohexyl)phenyl]-1-methylpyrazol-5-amine

C18H25N3 — CID 117455824

IUPAC3-[2-(3,3-dimethylcyclohexyl)phenyl]-1-methylpyrazol-5-amine
SMILESCn1nc(-c2ccccc2C2CCCC(C)(C)C2)cc1N
InChIInChI=1S/C18H25N3/c1-18(2)10-6-7-13(12-18)14-8-4-5-9-15(14)16-11-17(19)21(3)20-16/h4-5,8-9,11,13H,6-7,10,12,19H2,1-3H3
InChIKeyQRWVFQUJGCZAMW-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.35
Rot. Bonds2

About 3-[2-(3,3-dimethylcyclohexyl)phenyl]-1-methylpyrazol-5-amine

3-[2-(3,3-dimethylcyclohexyl)phenyl]-1-methylpyrazol-5-amine (PubChem CID 117455824) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-[2-(3,3-dimethylcyclohexyl)phenyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-[2-(3,3-dimethylcyclohexyl)phenyl]-1-methylpyrazol-5-amine
PubChem CID117455824
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name3-[2-(3,3-dimethylcyclohexyl)phenyl]-1-methylpyrazol-5-amine
SMILESCn1nc(-c2ccccc2C2CCCC(C)(C)C2)cc1N
InChIInChI=1S/C18H25N3/c1-18(2)10-6-7-13(12-18)14-8-4-5-9-15(14)16-11-17(19)21(3)20-16/h4-5,8-9,11,13H,6-7,10,12,19H2,1-3H3
InChIKeyQRWVFQUJGCZAMW-UHFFFAOYSA-N
XLogP4.35
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-methyl-1H-pyrazol-5-amine
CID 769146
1-tert-butyl-3-methyl-4-phenyl-1H-pyrazol-5-amine
CID 778073
3-Methyl-1,4-diphenyl-1H-pyrazol-5-amine
CID 619285
1-Methyl-3-phenyl-1H-pyrazol-5-amine
CID 517779
3-(3-Methylphenyl)-1-phenyl-1H-pyrazol-5-ylamine
CID 2060622
3-(4-ethylphenyl)-1-phenyl-1H-pyrazol-5-amine
CID 2517678
1-benzyl-3-phenyl-1H-pyrazol-5-amine
CID 684746
1,3-Dimethyl-4-phenyl-1H-pyrazol-5-amine
CID 1502824
N-(3,5-dimethylphenyl)-N'-(1-methyl-3-phenyl-1H-pyrazol-5-yl)urea
CID 2815275
3-(4-Methylphenyl)-1-phenyl-1H-pyrazol-5-amine
CID 854142
1,3-Bis(4-methylphenyl)-1H-pyrazol-5-amine
CID 800457
1-Methyl-4-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 2740916

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,3-dimethylcyclohexyl)phenyl]-1-methylpyrazol-5-amine?
The IUPAC name of 3-[2-(3,3-dimethylcyclohexyl)phenyl]-1-methylpyrazol-5-amine (CID 117455824) is 3-[2-(3,3-dimethylcyclohexyl)phenyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-[2-(3,3-dimethylcyclohexyl)phenyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 3-[2-(3,3-dimethylcyclohexyl)phenyl]-1-methylpyrazol-5-amine is Cn1nc(-c2ccccc2C2CCCC(C)(C)C2)cc1N.
What is the InChIKey of 3-[2-(3,3-dimethylcyclohexyl)phenyl]-1-methylpyrazol-5-amine?
The InChIKey is QRWVFQUJGCZAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-18(2)10-6-7-13(12-18)14-8-4-5-9-15(14)16-11-17(19)21(3)20-16/h4-5,8-9,11,13H,6-7,10,12,19H2,1-3H3.
What are the key properties of 3-[2-(3,3-dimethylcyclohexyl)phenyl]-1-methylpyrazol-5-amine?
3-[2-(3,3-dimethylcyclohexyl)phenyl]-1-methylpyrazol-5-amine has a molecular weight of 283.42 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,3-dimethylcyclohexyl)phenyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 117455824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).