1-[1-(3,4-dimethylcyclohexyl)-3,5-diethylpyrazol-4-yl]propan-1-amine

C18H33N3 — CID 82700162

IUPAC1-[1-(3,4-dimethylcyclohexyl)-3,5-diethylpyrazol-4-yl]propan-1-amine
SMILESCCc1nn(C2CCC(C)C(C)C2)c(CC)c1C(N)CC
InChIInChI=1S/C18H33N3/c1-6-15(19)18-16(7-2)20-21(17(18)8-3)14-10-9-12(4)13(5)11-14/h12-15H,6-11,19H2,1-5H3
InChIKeyOYEODNDIOIRVCA-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.41
Rot. Bonds5

About 1-[1-(3,4-dimethylcyclohexyl)-3,5-diethylpyrazol-4-yl]propan-1-amine

1-[1-(3,4-dimethylcyclohexyl)-3,5-diethylpyrazol-4-yl]propan-1-amine (PubChem CID 82700162) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is 1-[1-(3,4-dimethylcyclohexyl)-3,5-diethylpyrazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name1-[1-(3,4-dimethylcyclohexyl)-3,5-diethylpyrazol-4-yl]propan-1-amine
PubChem CID82700162
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name1-[1-(3,4-dimethylcyclohexyl)-3,5-diethylpyrazol-4-yl]propan-1-amine
SMILESCCc1nn(C2CCC(C)C(C)C2)c(CC)c1C(N)CC
InChIInChI=1S/C18H33N3/c1-6-15(19)18-16(7-2)20-21(17(18)8-3)14-10-9-12(4)13(5)11-14/h12-15H,6-11,19H2,1-5H3
InChIKeyOYEODNDIOIRVCA-UHFFFAOYSA-N
XLogP4.41
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(3,4-dimethylcyclohexyl)-3,5-diethylpyrazol-4-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

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dimethylcyclohexyl)-3,5-diethylpyrazol-4-yl]propan-1-amine?
The IUPAC name of 1-[1-(3,4-dimethylcyclohexyl)-3,5-diethylpyrazol-4-yl]propan-1-amine (CID 82700162) is 1-[1-(3,4-dimethylcyclohexyl)-3,5-diethylpyrazol-4-yl]propan-1-amine.
What is the SMILES notation for 1-[1-(3,4-dimethylcyclohexyl)-3,5-diethylpyrazol-4-yl]propan-1-amine?
The canonical SMILES for 1-[1-(3,4-dimethylcyclohexyl)-3,5-diethylpyrazol-4-yl]propan-1-amine is CCc1nn(C2CCC(C)C(C)C2)c(CC)c1C(N)CC.
What is the InChIKey of 1-[1-(3,4-dimethylcyclohexyl)-3,5-diethylpyrazol-4-yl]propan-1-amine?
The InChIKey is OYEODNDIOIRVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-6-15(19)18-16(7-2)20-21(17(18)8-3)14-10-9-12(4)13(5)11-14/h12-15H,6-11,19H2,1-5H3.
What are the key properties of 1-[1-(3,4-dimethylcyclohexyl)-3,5-diethylpyrazol-4-yl]propan-1-amine?
1-[1-(3,4-dimethylcyclohexyl)-3,5-diethylpyrazol-4-yl]propan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dimethylcyclohexyl)-3,5-diethylpyrazol-4-yl]propan-1-amine is sourced from PubChem (CID 82700162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).