3-cyclohexyl-1-[(2-methylphenyl)methyl]pyrazol-4-amine

C17H23N3 — CID 83222334

IUPAC3-cyclohexyl-1-[(2-methylphenyl)methyl]pyrazol-4-amine
SMILESCc1ccccc1Cn1cc(N)c(C2CCCCC2)n1
InChIInChI=1S/C17H23N3/c1-13-7-5-6-10-15(13)11-20-12-16(18)17(19-20)14-8-3-2-4-9-14/h5-7,10,12,14H,2-4,8-9,11,18H2,1H3
InChIKeyXWOMFHNBWJPVJJ-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.87
Rot. Bonds3

About 3-cyclohexyl-1-[(2-methylphenyl)methyl]pyrazol-4-amine

3-cyclohexyl-1-[(2-methylphenyl)methyl]pyrazol-4-amine (PubChem CID 83222334) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-cyclohexyl-1-[(2-methylphenyl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name3-cyclohexyl-1-[(2-methylphenyl)methyl]pyrazol-4-amine
PubChem CID83222334
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name3-cyclohexyl-1-[(2-methylphenyl)methyl]pyrazol-4-amine
SMILESCc1ccccc1Cn1cc(N)c(C2CCCCC2)n1
InChIInChI=1S/C17H23N3/c1-13-7-5-6-10-15(13)11-20-12-16(18)17(19-20)14-8-3-2-4-9-14/h5-7,10,12,14H,2-4,8-9,11,18H2,1H3
InChIKeyXWOMFHNBWJPVJJ-UHFFFAOYSA-N
XLogP3.87
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclohexyl-1-ethylpyrazol-4-amine
CID 83217071
3-cyclopentyl-1-[(3-methylphenyl)methyl]pyrazol-4-amine
CID 83222255
1-[(2-methylphenyl)methyl]-3-phenylpyrazol-4-amine
CID 83222256
3-cyclopentyl-1-(2-methylpropyl)pyrazol-4-amine
CID 83216247
1-[(2-chlorophenyl)methyl]-3-(oxolan-3-yl)pyrazol-4-amine
CID 113483578
1-[(2-chlorophenyl)methyl]-3-cyclohexylpyrazole-4-carbaldehyde
CID 63568228
1-[(2-bromophenyl)methyl]-3-cyclohexylpyrazole-4-carbaldehyde
CID 63566267
1-(2-bromophenyl)-3-cyclohexylpyrazol-4-amine
CID 83222763
3-cyclopentyl-1-(2-fluorophenyl)pyrazol-4-amine
CID 83222917
1-(2-methylphenyl)-3-(oxolan-3-yl)pyrazol-4-amine
CID 113483567
1-[(2-methylphenyl)methyl]-4-(1,3-oxathiolan-2-yl)triazole
CID 132649545
[1-[(2-methylphenyl)methyl]triazol-4-yl]-[(4S)-4-phenylazepan-1-yl]methanone
CID 25449029

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[(2-methylphenyl)methyl]pyrazol-4-amine?
The IUPAC name of 3-cyclohexyl-1-[(2-methylphenyl)methyl]pyrazol-4-amine (CID 83222334) is 3-cyclohexyl-1-[(2-methylphenyl)methyl]pyrazol-4-amine.
What is the SMILES notation for 3-cyclohexyl-1-[(2-methylphenyl)methyl]pyrazol-4-amine?
The canonical SMILES for 3-cyclohexyl-1-[(2-methylphenyl)methyl]pyrazol-4-amine is Cc1ccccc1Cn1cc(N)c(C2CCCCC2)n1.
What is the InChIKey of 3-cyclohexyl-1-[(2-methylphenyl)methyl]pyrazol-4-amine?
The InChIKey is XWOMFHNBWJPVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-13-7-5-6-10-15(13)11-20-12-16(18)17(19-20)14-8-3-2-4-9-14/h5-7,10,12,14H,2-4,8-9,11,18H2,1H3.
What are the key properties of 3-cyclohexyl-1-[(2-methylphenyl)methyl]pyrazol-4-amine?
3-cyclohexyl-1-[(2-methylphenyl)methyl]pyrazol-4-amine has a molecular weight of 269.39 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[(2-methylphenyl)methyl]pyrazol-4-amine is sourced from PubChem (CID 83222334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).