2-methyl-N-[[1-(4-methylcyclohexyl)pyrazol-4-yl]methyl]propan-1-amine

C15H27N3 — CID 64776921

IUPAC2-methyl-N-[[1-(4-methylcyclohexyl)pyrazol-4-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1cnn(C2CCC(C)CC2)c1
InChIInChI=1S/C15H27N3/c1-12(2)8-16-9-14-10-17-18(11-14)15-6-4-13(3)5-7-15/h10-13,15-16H,4-9H2,1-3H3
InChIKeyGFQBFINNZPYAFA-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.38
Rot. Bonds5

About 2-methyl-N-[[1-(4-methylcyclohexyl)pyrazol-4-yl]methyl]propan-1-amine

2-methyl-N-[[1-(4-methylcyclohexyl)pyrazol-4-yl]methyl]propan-1-amine (PubChem CID 64776921) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-methyl-N-[[1-(4-methylcyclohexyl)pyrazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(4-methylcyclohexyl)pyrazol-4-yl]methyl]propan-1-amine
PubChem CID64776921
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name2-methyl-N-[[1-(4-methylcyclohexyl)pyrazol-4-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1cnn(C2CCC(C)CC2)c1
InChIInChI=1S/C15H27N3/c1-12(2)8-16-9-14-10-17-18(11-14)15-6-4-13(3)5-7-15/h10-13,15-16H,4-9H2,1-3H3
InChIKeyGFQBFINNZPYAFA-UHFFFAOYSA-N
XLogP3.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-cyclohexylpyrazol-4-yl)methyl]-2-methylpropan-1-amine
CID 62731768
N-methyl-1-[1-(4-methylcyclohexyl)pyrazol-4-yl]methanamine
CID 64776111
2-methyl-N-[[1-(4-methylcyclohexyl)triazol-4-yl]methyl]propan-1-amine
CID 66193062
N-[(1-cyclopentylpyrazol-4-yl)methyl]ethanamine
CID 61271729
N-[(1-cyclopentylpyrazol-4-yl)methyl]-1-(1-ethylpyrazol-4-yl)methanamine;hydrochloride
CID 126966107
1-cyclohexyl-4-(2-methylpropyl)pyrazole
CID 155207502
1-(1-cycloheptylpyrazol-4-yl)-N-methylmethanamine
CID 61272922
1-(4-methylcyclohexyl)pyrazol-4-ol
CID 116799375
1-[1-(4-ethylcyclohexyl)pyrazol-4-yl]-N-methylmethanamine
CID 64776309
2-methyl-N-[(1-pentan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 107887013
2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 115622207
N-[(1-cyclopentylpyrazol-4-yl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 122166265

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(4-methylcyclohexyl)pyrazol-4-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-(4-methylcyclohexyl)pyrazol-4-yl]methyl]propan-1-amine (CID 64776921) is 2-methyl-N-[[1-(4-methylcyclohexyl)pyrazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-(4-methylcyclohexyl)pyrazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-(4-methylcyclohexyl)pyrazol-4-yl]methyl]propan-1-amine is CC(C)CNCc1cnn(C2CCC(C)CC2)c1.
What is the InChIKey of 2-methyl-N-[[1-(4-methylcyclohexyl)pyrazol-4-yl]methyl]propan-1-amine?
The InChIKey is GFQBFINNZPYAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-12(2)8-16-9-14-10-17-18(11-14)15-6-4-13(3)5-7-15/h10-13,15-16H,4-9H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-(4-methylcyclohexyl)pyrazol-4-yl]methyl]propan-1-amine?
2-methyl-N-[[1-(4-methylcyclohexyl)pyrazol-4-yl]methyl]propan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(4-methylcyclohexyl)pyrazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 64776921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).