1-[1-(3,5-dimethylcyclohexyl)pyrazol-4-yl]-N-propylpropan-1-amine

C17H31N3 — CID 64730349

IUPAC1-[1-(3,5-dimethylcyclohexyl)pyrazol-4-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1cnn(C2CC(C)CC(C)C2)c1
InChIInChI=1S/C17H31N3/c1-5-7-18-17(6-2)15-11-19-20(12-15)16-9-13(3)8-14(4)10-16/h11-14,16-18H,5-10H2,1-4H3
InChIKeyONWURXDUKSCVMW-UHFFFAOYSA-N
MW277.46 g/mol
LogP4.33
Rot. Bonds6

About 1-[1-(3,5-dimethylcyclohexyl)pyrazol-4-yl]-N-propylpropan-1-amine

1-[1-(3,5-dimethylcyclohexyl)pyrazol-4-yl]-N-propylpropan-1-amine (PubChem CID 64730349) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 1-[1-(3,5-dimethylcyclohexyl)pyrazol-4-yl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[1-(3,5-dimethylcyclohexyl)pyrazol-4-yl]-N-propylpropan-1-amine
PubChem CID64730349
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name1-[1-(3,5-dimethylcyclohexyl)pyrazol-4-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1cnn(C2CC(C)CC(C)C2)c1
InChIInChI=1S/C17H31N3/c1-5-7-18-17(6-2)15-11-19-20(12-15)16-9-13(3)8-14(4)10-16/h11-14,16-18H,5-10H2,1-4H3
InChIKeyONWURXDUKSCVMW-UHFFFAOYSA-N
XLogP4.33
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(3,5-dimethylcyclohexyl)pyrazol-4-yl]-N-propylpropan-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-(3,5-dimethylcyclohexyl)pyrazol-4-yl]propan-1-amine
CID 64728538
1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 43497248
N-[(3,5-dimethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 65200078
N-[1-[1-(3,4-dimethylcyclohexyl)pyrazol-4-yl]ethyl]propan-1-amine
CID 64738270
1-[1-(cyclopentylmethyl)pyrazol-4-yl]-N-propylpropan-1-amine
CID 62730353
1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-N-propylpropan-1-amine
CID 62731798
1-[1-(2-phenylethyl)pyrazol-4-yl]-N-propylpropan-1-amine
CID 62731623
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 115816163
1-[1-[2-(3-methylbutoxy)ethyl]pyrazol-4-yl]-N-propylpropan-1-amine
CID 62730531
1-(1-ethylpyrazol-4-yl)-3-methyl-N-propylpentan-1-amine
CID 115816153
3,3,3-trifluoro-N-[1-(1-methylpyrazol-4-yl)propyl]propan-1-amine
CID 115727211
N-[(3,5-dimethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 65195899

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dimethylcyclohexyl)pyrazol-4-yl]-N-propylpropan-1-amine?
The IUPAC name of 1-[1-(3,5-dimethylcyclohexyl)pyrazol-4-yl]-N-propylpropan-1-amine (CID 64730349) is 1-[1-(3,5-dimethylcyclohexyl)pyrazol-4-yl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[1-(3,5-dimethylcyclohexyl)pyrazol-4-yl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[1-(3,5-dimethylcyclohexyl)pyrazol-4-yl]-N-propylpropan-1-amine is CCCNC(CC)c1cnn(C2CC(C)CC(C)C2)c1.
What is the InChIKey of 1-[1-(3,5-dimethylcyclohexyl)pyrazol-4-yl]-N-propylpropan-1-amine?
The InChIKey is ONWURXDUKSCVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-5-7-18-17(6-2)15-11-19-20(12-15)16-9-13(3)8-14(4)10-16/h11-14,16-18H,5-10H2,1-4H3.
What are the key properties of 1-[1-(3,5-dimethylcyclohexyl)pyrazol-4-yl]-N-propylpropan-1-amine?
1-[1-(3,5-dimethylcyclohexyl)pyrazol-4-yl]-N-propylpropan-1-amine has a molecular weight of 277.46 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-dimethylcyclohexyl)pyrazol-4-yl]-N-propylpropan-1-amine is sourced from PubChem (CID 64730349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).