1-methyl-N-[(3-methylcyclohexyl)methyl]-3-propan-2-ylpyrazol-4-amine

C15H27N3 — CID 114262679

IUPAC1-methyl-N-[(3-methylcyclohexyl)methyl]-3-propan-2-ylpyrazol-4-amine
SMILESCC1CCCC(CNc2cn(C)nc2C(C)C)C1
InChIInChI=1S/C15H27N3/c1-11(2)15-14(10-18(4)17-15)16-9-13-7-5-6-12(3)8-13/h10-13,16H,5-9H2,1-4H3
InChIKeyFSEJPTKDYKJQQJ-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.78
Rot. Bonds4

About 1-methyl-N-[(3-methylcyclohexyl)methyl]-3-propan-2-ylpyrazol-4-amine

1-methyl-N-[(3-methylcyclohexyl)methyl]-3-propan-2-ylpyrazol-4-amine (PubChem CID 114262679) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-methyl-N-[(3-methylcyclohexyl)methyl]-3-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-N-[(3-methylcyclohexyl)methyl]-3-propan-2-ylpyrazol-4-amine
PubChem CID114262679
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name1-methyl-N-[(3-methylcyclohexyl)methyl]-3-propan-2-ylpyrazol-4-amine
SMILESCC1CCCC(CNc2cn(C)nc2C(C)C)C1
InChIInChI=1S/C15H27N3/c1-11(2)15-14(10-18(4)17-15)16-9-13-7-5-6-12(3)8-13/h10-13,16H,5-9H2,1-4H3
InChIKeyFSEJPTKDYKJQQJ-UHFFFAOYSA-N
XLogP3.78
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bicyclo[2.2.1]heptanylmethyl)-1-methyl-3-propan-2-ylpyrazol-4-amine
CID 114094602
1-(1,3-dimethylpyrazol-4-yl)-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 103778774
N-(cyclobutylmethyl)-1,3-dimethylpyrazol-4-amine
CID 102804461
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methyl-3-propan-2-ylpyrazol-4-amine
CID 114094606
1-(3-methylcyclohexyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine
CID 78921607
1-methyl-3-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazol-4-amine
CID 114094591
3-methyl-3-[(3-methylcyclohexyl)methylamino]butan-2-ol
CID 115881296
2,6-dichloro-4-methyl-N-[(3-methylcyclohexyl)methyl]pyridin-3-amine
CID 114051292
4,6-dimethyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine
CID 114094516
ethyl 2-amino-3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)amino]propanoate
CID 114281397
2-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)propane-1,2-diamine
CID 130500065
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclopropanamine
CID 43754680

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(3-methylcyclohexyl)methyl]-3-propan-2-ylpyrazol-4-amine?
The IUPAC name of 1-methyl-N-[(3-methylcyclohexyl)methyl]-3-propan-2-ylpyrazol-4-amine (CID 114262679) is 1-methyl-N-[(3-methylcyclohexyl)methyl]-3-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for 1-methyl-N-[(3-methylcyclohexyl)methyl]-3-propan-2-ylpyrazol-4-amine?
The canonical SMILES for 1-methyl-N-[(3-methylcyclohexyl)methyl]-3-propan-2-ylpyrazol-4-amine is CC1CCCC(CNc2cn(C)nc2C(C)C)C1.
What is the InChIKey of 1-methyl-N-[(3-methylcyclohexyl)methyl]-3-propan-2-ylpyrazol-4-amine?
The InChIKey is FSEJPTKDYKJQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-11(2)15-14(10-18(4)17-15)16-9-13-7-5-6-12(3)8-13/h10-13,16H,5-9H2,1-4H3.
What are the key properties of 1-methyl-N-[(3-methylcyclohexyl)methyl]-3-propan-2-ylpyrazol-4-amine?
1-methyl-N-[(3-methylcyclohexyl)methyl]-3-propan-2-ylpyrazol-4-amine has a molecular weight of 249.40 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(3-methylcyclohexyl)methyl]-3-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 114262679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).