N-[(2,5-dimethylpyrazol-3-yl)-(3-methylcyclohexyl)methyl]ethanamine

C15H27N3 — CID 105155834

IUPACN-[(2,5-dimethylpyrazol-3-yl)-(3-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1cc(C)nn1C)C1CCCC(C)C1
InChIInChI=1S/C15H27N3/c1-5-16-15(13-8-6-7-11(2)9-13)14-10-12(3)17-18(14)4/h10-11,13,15-16H,5-9H2,1-4H3
InChIKeyKOJTZSKHKAUKSR-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.21
Rot. Bonds4

About N-[(2,5-dimethylpyrazol-3-yl)-(3-methylcyclohexyl)methyl]ethanamine

N-[(2,5-dimethylpyrazol-3-yl)-(3-methylcyclohexyl)methyl]ethanamine (PubChem CID 105155834) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[(2,5-dimethylpyrazol-3-yl)-(3-methylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-dimethylpyrazol-3-yl)-(3-methylcyclohexyl)methyl]ethanamine
PubChem CID105155834
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[(2,5-dimethylpyrazol-3-yl)-(3-methylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1cc(C)nn1C)C1CCCC(C)C1
InChIInChI=1S/C15H27N3/c1-5-16-15(13-8-6-7-11(2)9-13)14-10-12(3)17-18(14)4/h10-11,13,15-16H,5-9H2,1-4H3
InChIKeyKOJTZSKHKAUKSR-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,5-dimethylpyrazol-3-yl)-(3-ethylcyclohexyl)methyl]ethanamine
CID 105156073
1-(2,5-dimethylpyrazol-3-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine
CID 105155982
N-[(2,5-dimethylpyrazol-3-yl)-(oxan-3-yl)methyl]ethanamine
CID 107138704
1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine
CID 105155802
N-[(2,5-dimethylpyrazol-3-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 105170134
N-[(2,5-dimethylpyrazol-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 105170671
N-[(3-methylcyclohexyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 63963526
N-ethyl-1-(3-methylcyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105155988
N-[(1,3-diethylpyrazol-5-yl)-(3,5-dimethylcyclohexyl)methyl]ethanamine
CID 105154223
N-[(4-methoxy-2-methylphenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 65313720
N-[(4-fluorophenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 55187004
N-[(4-cyclobutylphenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 116506045

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)-(3-methylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)-(3-methylcyclohexyl)methyl]ethanamine (CID 105155834) is N-[(2,5-dimethylpyrazol-3-yl)-(3-methylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,5-dimethylpyrazol-3-yl)-(3-methylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(2,5-dimethylpyrazol-3-yl)-(3-methylcyclohexyl)methyl]ethanamine is CCNC(c1cc(C)nn1C)C1CCCC(C)C1.
What is the InChIKey of N-[(2,5-dimethylpyrazol-3-yl)-(3-methylcyclohexyl)methyl]ethanamine?
The InChIKey is KOJTZSKHKAUKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-16-15(13-8-6-7-11(2)9-13)14-10-12(3)17-18(14)4/h10-11,13,15-16H,5-9H2,1-4H3.
What are the key properties of N-[(2,5-dimethylpyrazol-3-yl)-(3-methylcyclohexyl)methyl]ethanamine?
N-[(2,5-dimethylpyrazol-3-yl)-(3-methylcyclohexyl)methyl]ethanamine has a molecular weight of 249.40 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylpyrazol-3-yl)-(3-methylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 105155834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).