2-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylbutan-1-amine

C15H27N3 — CID 64778280

IUPAC2-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylbutan-1-amine
SMILESCC(C)C(CN)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C15H27N3/c1-12(2)13(11-16)10-14-8-9-18(17-14)15-6-4-3-5-7-15/h8-9,12-13,15H,3-7,10-11,16H2,1-2H3
InChIKeyZKAJSNRQPHQQQD-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.16
Rot. Bonds5

About 2-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylbutan-1-amine

2-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylbutan-1-amine (PubChem CID 64778280) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylbutan-1-amine
PubChem CID64778280
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name2-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylbutan-1-amine
SMILESCC(C)C(CN)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C15H27N3/c1-12(2)13(11-16)10-14-8-9-18(17-14)15-6-4-3-5-7-15/h8-9,12-13,15H,3-7,10-11,16H2,1-2H3
InChIKeyZKAJSNRQPHQQQD-UHFFFAOYSA-N
XLogP3.16
TPSA43.84 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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-1-(1-cyclohexylpyrazol-3-yl)-4-methylpentan-2-ol
CID 107443067
4-(1-cyclopentylpyrazol-3-yl)-3-methylbutan-1-amine
CID 81013541
3-(1-cyclopentylpyrazol-3-yl)-2-fluoropropan-1-amine
CID 112562613
3-(2-chloropropyl)-1-cyclopentylpyrazole
CID 130480485
2-cyclopentyl-3-(1-cyclopentylpyrazol-3-yl)propan-1-amine
CID 112569583
3-(4-bromo-2-methylpentyl)-1-cyclohexylpyrazole
CID 64778967
1-(1-cyclopentylpyrazol-3-yl)-4-methylpentane-2,3-diol
CID 103456685
1-cycloheptyl-2-(1-cyclohexylpyrazol-3-yl)ethanamine
CID 65399634
1-(1-cyclopentylpyrazol-3-yl)butan-2-amine
CID 64785877
2-[(1-cyclopentylpyrazol-3-yl)methyl]-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 64778110
(2S)-2-amino-3-(1-cyclohexylpyrazol-3-yl)propanoic acid
CID 106702721
4-(1-cyclohexylpyrazol-3-yl)-3-methylbutan-2-one
CID 64784583

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylbutan-1-amine?
The IUPAC name of 2-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylbutan-1-amine (CID 64778280) is 2-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylbutan-1-amine.
What is the SMILES notation for 2-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylbutan-1-amine?
The canonical SMILES for 2-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylbutan-1-amine is CC(C)C(CN)Cc1ccn(C2CCCCC2)n1.
What is the InChIKey of 2-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylbutan-1-amine?
The InChIKey is ZKAJSNRQPHQQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-12(2)13(11-16)10-14-8-9-18(17-14)15-6-4-3-5-7-15/h8-9,12-13,15H,3-7,10-11,16H2,1-2H3.
What are the key properties of 2-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylbutan-1-amine?
2-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylbutan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylbutan-1-amine is sourced from PubChem (CID 64778280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).