2-[(1-ethylpyrazol-4-yl)methyl]-4-propylcyclohexan-1-amine

C15H27N3 — CID 62128171

IUPAC2-[(1-ethylpyrazol-4-yl)methyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(Cc2cnn(CC)c2)C1
InChIInChI=1S/C15H27N3/c1-3-5-12-6-7-15(16)14(8-12)9-13-10-17-18(4-2)11-13/h10-12,14-15H,3-9,16H2,1-2H3
InChIKeyWDHVQDQXDWSNPH-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.99
Rot. Bonds5

About 2-[(1-ethylpyrazol-4-yl)methyl]-4-propylcyclohexan-1-amine

2-[(1-ethylpyrazol-4-yl)methyl]-4-propylcyclohexan-1-amine (PubChem CID 62128171) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-[(1-ethylpyrazol-4-yl)methyl]-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(1-ethylpyrazol-4-yl)methyl]-4-propylcyclohexan-1-amine
PubChem CID62128171
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name2-[(1-ethylpyrazol-4-yl)methyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(Cc2cnn(CC)c2)C1
InChIInChI=1S/C15H27N3/c1-3-5-12-6-7-15(16)14(8-12)9-13-10-17-18(4-2)11-13/h10-12,14-15H,3-9,16H2,1-2H3
InChIKeyWDHVQDQXDWSNPH-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-(pyrrolidin-2-yl)-1H-pyrazole
CID 25248267
2-(1-methyl-1H-pyrazol-4-yl)piperidine
CID 63085164
4-(1-ethyl-1H-pyrazol-4-yl)piperidine
CID 50987960
alpha-Ethyl-1-methyl-1H-pyrazole-4-methanamine
CID 23005813
2-methyl-1-(1-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 43124222
alpha,1-Dimethyl-1H-pyrazole-4-ethanamine
CID 43199853
3-(1-methyl-1H-pyrazol-4-yl)piperidine
CID 62405677
cyclobutyl(1-methyl-1H-pyrazol-4-yl)methanamine
CID 43124235
4-(1-methyl-1H-pyrazol-4-yl)butan-1-amine
CID 50988989
4-(1-methyl-1H-pyrazol-4-yl)butan-2-amine
CID 62127805
2-methyl-3-(1-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 62505178
{[1-ethyl-2-(1-methyl-1H-pyrazol-4-yl)piperidin-3-yl]methyl}(methyl)amine
CID 64067740

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrazol-4-yl)methyl]-4-propylcyclohexan-1-amine?
The IUPAC name of 2-[(1-ethylpyrazol-4-yl)methyl]-4-propylcyclohexan-1-amine (CID 62128171) is 2-[(1-ethylpyrazol-4-yl)methyl]-4-propylcyclohexan-1-amine.
What is the SMILES notation for 2-[(1-ethylpyrazol-4-yl)methyl]-4-propylcyclohexan-1-amine?
The canonical SMILES for 2-[(1-ethylpyrazol-4-yl)methyl]-4-propylcyclohexan-1-amine is CCCC1CCC(N)C(Cc2cnn(CC)c2)C1.
What is the InChIKey of 2-[(1-ethylpyrazol-4-yl)methyl]-4-propylcyclohexan-1-amine?
The InChIKey is WDHVQDQXDWSNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-3-5-12-6-7-15(16)14(8-12)9-13-10-17-18(4-2)11-13/h10-12,14-15H,3-9,16H2,1-2H3.
What are the key properties of 2-[(1-ethylpyrazol-4-yl)methyl]-4-propylcyclohexan-1-amine?
2-[(1-ethylpyrazol-4-yl)methyl]-4-propylcyclohexan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrazol-4-yl)methyl]-4-propylcyclohexan-1-amine is sourced from PubChem (CID 62128171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).