1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-propylcyclohexan-1-amine

C18H31N3 — CID 64784480

IUPAC1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)(Cc2ccn(C3CCCC3)n2)CC1
InChIInChI=1S/C18H31N3/c1-2-5-15-8-11-18(19,12-9-15)14-16-10-13-21(20-16)17-6-3-4-7-17/h10,13,15,17H,2-9,11-12,14,19H2,1H3
InChIKeyFYXIGVOBGYXVEZ-UHFFFAOYSA-N
MW289.47 g/mol
LogP4.23
Rot. Bonds5

About 1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-propylcyclohexan-1-amine

1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-propylcyclohexan-1-amine (PubChem CID 64784480) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-propylcyclohexan-1-amine
PubChem CID64784480
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)(Cc2ccn(C3CCCC3)n2)CC1
InChIInChI=1S/C18H31N3/c1-2-5-15-8-11-18(19,12-9-15)14-16-10-13-21(20-16)17-6-3-4-7-17/h10,13,15,17H,2-9,11-12,14,19H2,1H3
InChIKeyFYXIGVOBGYXVEZ-UHFFFAOYSA-N
XLogP4.23
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-propylcyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylcyclopentan-1-amine
CID 64785070
1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-ethylcyclohexan-1-amine
CID 64783907
[1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-ethylcyclohexyl]methanamine
CID 65394733
1-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylcyclohexan-1-amine
CID 64783322
N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]cyclopropyl]methyl]ethanamine
CID 66026217
1-cyclohexyl-3-ethylpyrazole
CID 66014335
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohexyl]-N-methylmethanamine
CID 64779878
3-[[1-(bromomethyl)cyclopropyl]methyl]-1-cyclopentylpyrazole
CID 66049323
N-[1-[1-[(1-cyclopentylpyrazol-3-yl)methyl]cyclopropyl]ethyl]propan-1-amine
CID 106798023
[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]methanol
CID 66024341
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]ethanone
CID 106797108
1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylcyclopentan-1-ol
CID 79863268

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-propylcyclohexan-1-amine?
The IUPAC name of 1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-propylcyclohexan-1-amine (CID 64784480) is 1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-propylcyclohexan-1-amine.
What is the SMILES notation for 1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-propylcyclohexan-1-amine?
The canonical SMILES for 1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-propylcyclohexan-1-amine is CCCC1CCC(N)(Cc2ccn(C3CCCC3)n2)CC1.
What is the InChIKey of 1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-propylcyclohexan-1-amine?
The InChIKey is FYXIGVOBGYXVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-2-5-15-8-11-18(19,12-9-15)14-16-10-13-21(20-16)17-6-3-4-7-17/h10,13,15,17H,2-9,11-12,14,19H2,1H3.
What are the key properties of 1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-propylcyclohexan-1-amine?
1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-propylcyclohexan-1-amine has a molecular weight of 289.47 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-propylcyclohexan-1-amine is sourced from PubChem (CID 64784480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).