1-(4-butylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine

C17H31N3 — CID 103030638

IUPAC1-(4-butylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
SMILESCCCCC1CCC(C(N)CCc2ccnn2C)CC1
InChIInChI=1S/C17H31N3/c1-3-4-5-14-6-8-15(9-7-14)17(18)11-10-16-12-13-19-20(16)2/h12-15,17H,3-11,18H2,1-2H3
InChIKeyBJGJJJZFRQZNOC-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.68
Rot. Bonds7

About 1-(4-butylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine

1-(4-butylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine (PubChem CID 103030638) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 1-(4-butylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4-butylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
PubChem CID103030638
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name1-(4-butylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
SMILESCCCCC1CCC(C(N)CCc2ccnn2C)CC1
InChIInChI=1S/C17H31N3/c1-3-4-5-14-6-8-15(9-7-14)17(18)11-10-16-12-13-19-20(16)2/h12-15,17H,3-11,18H2,1-2H3
InChIKeyBJGJJJZFRQZNOC-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-butylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-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

4-butyl-1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
CID 103017111
3-(2-methylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-amine
CID 103030834
1-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]ethanamine
CID 102999214
1-(4-butylcyclohexyl)-2-(3,4-dichlorophenyl)ethanamine
CID 63527651
5-(4-chloro-4-cyclopropylbutyl)-1-methylpyrazole
CID 103013956
1-(2-methylpyrazol-3-yl)pentan-3-amine
CID 64505334
1-(4-butylcyclohexyl)-2-pyridin-3-ylethanamine
CID 105034554
N-ethyl-1-(4-methylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103009722
1-(4-butylcyclohexyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 105002012
1-(4-butylcyclohexyl)-2-(5-chlorothiophen-2-yl)ethanamine
CID 115841569
1-(4-butylcyclohexyl)pent-4-yn-1-amine
CID 115859309
4-ethyl-4-N,4-N-dimethyl-1-(2-methylpyrazol-3-yl)hexane-3,4-diamine
CID 103011097

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
The IUPAC name of 1-(4-butylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine (CID 103030638) is 1-(4-butylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for 1-(4-butylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for 1-(4-butylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine is CCCCC1CCC(C(N)CCc2ccnn2C)CC1.
What is the InChIKey of 1-(4-butylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
The InChIKey is BJGJJJZFRQZNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-3-4-5-14-6-8-15(9-7-14)17(18)11-10-16-12-13-19-20(16)2/h12-15,17H,3-11,18H2,1-2H3.
What are the key properties of 1-(4-butylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
1-(4-butylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine has a molecular weight of 277.46 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 103030638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).