1-benzyl-N-(2-methylcyclohexyl)pyrazol-4-amine

C17H23N3 — CID 60931524

IUPAC1-benzyl-N-(2-methylcyclohexyl)pyrazol-4-amine
SMILESCC1CCCCC1Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C17H23N3/c1-14-7-5-6-10-17(14)19-16-11-18-20(13-16)12-15-8-3-2-4-9-15/h2-4,8-9,11,13-14,17,19H,5-7,10,12H2,1H3
InChIKeyYVWRWHKHHXCCAS-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.92
Rot. Bonds4

About 1-benzyl-N-(2-methylcyclohexyl)pyrazol-4-amine

1-benzyl-N-(2-methylcyclohexyl)pyrazol-4-amine (PubChem CID 60931524) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-benzyl-N-(2-methylcyclohexyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-benzyl-N-(2-methylcyclohexyl)pyrazol-4-amine
PubChem CID60931524
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name1-benzyl-N-(2-methylcyclohexyl)pyrazol-4-amine
SMILESCC1CCCCC1Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C17H23N3/c1-14-7-5-6-10-17(14)19-16-11-18-20(13-16)12-15-8-3-2-4-9-15/h2-4,8-9,11,13-14,17,19H,5-7,10,12H2,1H3
InChIKeyYVWRWHKHHXCCAS-UHFFFAOYSA-N
XLogP3.92
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-(2,3-dimethylcyclobutyl)pyrazol-4-amine
CID 130645912
1-benzyl-N-cyclohexylpyrazol-4-amine
CID 54866244
1-benzyl-N-cycloheptylpyrazol-4-amine
CID 60931271
1-ethyl-N-[(1S,2R)-2-methylcyclohexyl]pyrazol-4-amine
CID 93112285
4-[(1-benzylpyrazol-4-yl)amino]cyclohexan-1-ol
CID 82539345
1-benzyl-N-(3-ethylcyclopentyl)pyrazol-4-amine
CID 64501748
3-N-(1-benzylpyrazol-4-yl)cyclopentane-1,3-diamine
CID 79462283
N-(2-hydroxyethyl)-2-[4-[(2-methylcyclopentyl)amino]pyrazol-1-yl]acetamide
CID 110017367
1-benzyl-N-(2-fluoroethyl)pyrazol-4-amine
CID 130992839
N-(1-benzylpyrrolidin-3-yl)-1-ethylpyrazol-4-amine
CID 43543283
1-[(1-benzylpyrazol-4-yl)amino]propan-2-ol
CID 82539768
N-(1-benzylpyrazol-4-yl)-2-hydroxycyclopentane-1-carboxamide
CID 110014209

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-methylcyclohexyl)pyrazol-4-amine?
The IUPAC name of 1-benzyl-N-(2-methylcyclohexyl)pyrazol-4-amine (CID 60931524) is 1-benzyl-N-(2-methylcyclohexyl)pyrazol-4-amine.
What is the SMILES notation for 1-benzyl-N-(2-methylcyclohexyl)pyrazol-4-amine?
The canonical SMILES for 1-benzyl-N-(2-methylcyclohexyl)pyrazol-4-amine is CC1CCCCC1Nc1cnn(Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-(2-methylcyclohexyl)pyrazol-4-amine?
The InChIKey is YVWRWHKHHXCCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-14-7-5-6-10-17(14)19-16-11-18-20(13-16)12-15-8-3-2-4-9-15/h2-4,8-9,11,13-14,17,19H,5-7,10,12H2,1H3.
What are the key properties of 1-benzyl-N-(2-methylcyclohexyl)pyrazol-4-amine?
1-benzyl-N-(2-methylcyclohexyl)pyrazol-4-amine has a molecular weight of 269.39 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-methylcyclohexyl)pyrazol-4-amine is sourced from PubChem (CID 60931524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).