1-cyclohexyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine

C17H31N3 — CID 104991709

IUPAC1-cyclohexyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
SMILESCCC(CC)n1ccc(CC(N)CC2CCCCC2)n1
InChIInChI=1S/C17H31N3/c1-3-17(4-2)20-11-10-16(19-20)13-15(18)12-14-8-6-5-7-9-14/h10-11,14-15,17H,3-9,12-13,18H2,1-2H3
InChIKeyHVVUGMKRGFGSCU-UHFFFAOYSA-N
MW277.46 g/mol
LogP4.08
Rot. Bonds7

About 1-cyclohexyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine

1-cyclohexyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine (PubChem CID 104991709) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 1-cyclohexyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
PubChem CID104991709
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name1-cyclohexyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
SMILESCCC(CC)n1ccc(CC(N)CC2CCCCC2)n1
InChIInChI=1S/C17H31N3/c1-3-17(4-2)20-11-10-16(19-20)13-15(18)12-14-8-6-5-7-9-14/h10-11,14-15,17H,3-9,12-13,18H2,1-2H3
InChIKeyHVVUGMKRGFGSCU-UHFFFAOYSA-N
XLogP4.08
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclohexyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-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-cycloheptyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 104991829
1-(1-pentan-3-ylpyrazol-3-yl)-3-(thian-4-yl)propan-2-amine
CID 105155729
[1-cyclohexyl-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]hydrazine
CID 105201952
1-cyclopropyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82876061
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 64785884
1-(oxan-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 104991809
[1-cyclopentylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-yl]hydrazine
CID 105227639
[1-(6-bicyclo[3.1.0]hexanyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]hydrazine
CID 105313440
(1S)-1-cyclohexyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine
CID 81384939
[1-(oxan-3-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]hydrazine
CID 105230091
1-(1-cyclopentylpyrazol-3-yl)butan-2-amine
CID 64785877
1-(6-bicyclo[3.1.0]hexanyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 115807875

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine?
The IUPAC name of 1-cyclohexyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine (CID 104991709) is 1-cyclohexyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine.
What is the SMILES notation for 1-cyclohexyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine?
The canonical SMILES for 1-cyclohexyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine is CCC(CC)n1ccc(CC(N)CC2CCCCC2)n1.
What is the InChIKey of 1-cyclohexyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine?
The InChIKey is HVVUGMKRGFGSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-3-17(4-2)20-11-10-16(19-20)13-15(18)12-14-8-6-5-7-9-14/h10-11,14-15,17H,3-9,12-13,18H2,1-2H3.
What are the key properties of 1-cyclohexyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine?
1-cyclohexyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine has a molecular weight of 277.46 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine is sourced from PubChem (CID 104991709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).