1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine

C15H27N3 — CID 105155802

IUPAC1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine
SMILESCCc1cc(C(NC)C2CCCC(C)C2)n(C)n1
InChIInChI=1S/C15H27N3/c1-5-13-10-14(18(4)17-13)15(16-3)12-8-6-7-11(2)9-12/h10-12,15-16H,5-9H2,1-4H3
InChIKeyPDGKLDUCELDGSJ-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.07
Rot. Bonds4

About 1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine

1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine (PubChem CID 105155802) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine
PubChem CID105155802
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine
SMILESCCc1cc(C(NC)C2CCCC(C)C2)n(C)n1
InChIInChI=1S/C15H27N3/c1-5-13-10-14(18(4)17-13)15(16-3)12-8-6-7-11(2)9-12/h10-12,15-16H,5-9H2,1-4H3
InChIKeyPDGKLDUCELDGSJ-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylpyrazol-3-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine
CID 105155982
N-[(2,5-dimethylpyrazol-3-yl)-(3-methylcyclohexyl)methyl]ethanamine
CID 105155834
N-methyl-1-(3-methylcyclohexyl)-1-(3-methylimidazol-4-yl)methanamine
CID 82903742
1-cyclohexyl-1-(1,3-diethylpyrazol-5-yl)-N-methylmethanamine
CID 105079431
1-(4-ethylphenyl)-N-methyl-1-(3-methylcyclohexyl)methanamine
CID 63414820
[(2-ethylcyclohexyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]hydrazine
CID 105309605
[2-(1,3-diethylpyrazol-5-yl)-1-(3-methylcyclohexyl)ethyl]hydrazine
CID 105210397
N-[(1,3-diethylpyrazol-5-yl)-(3,5-dimethylcyclohexyl)methyl]ethanamine
CID 105154223
1-(3-cyclobutylphenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105189517
N-[(3-methylcyclohexyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 63963526
2-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-1-amine
CID 105168439
N-[(3-methylcyclohexyl)-(2-methyltriazol-4-yl)methyl]propan-1-amine
CID 112735849

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine (CID 105155802) is 1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine is CCc1cc(C(NC)C2CCCC(C)C2)n(C)n1.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine?
The InChIKey is PDGKLDUCELDGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-13-10-14(18(4)17-13)15(16-3)12-8-6-7-11(2)9-12/h10-12,15-16H,5-9H2,1-4H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine?
1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine has a molecular weight of 249.40 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine is sourced from PubChem (CID 105155802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).