[4-ethyl-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclohexyl]methanamine

C16H29N3 — CID 81012010

IUPAC[4-ethyl-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclohexyl]methanamine
SMILESCCc1cc(CC2CC(CC)CCC2CN)n(C)n1
InChIInChI=1S/C16H29N3/c1-4-12-6-7-13(11-17)14(8-12)9-16-10-15(5-2)18-19(16)3/h10,12-14H,4-9,11,17H2,1-3H3
InChIKeyZHVSWSDFUSWGGL-UHFFFAOYSA-N
MW263.43 g/mol
LogP2.93
Rot. Bonds5

About [4-ethyl-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclohexyl]methanamine

[4-ethyl-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclohexyl]methanamine (PubChem CID 81012010) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is [4-ethyl-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-ethyl-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclohexyl]methanamine
PubChem CID81012010
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name[4-ethyl-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclohexyl]methanamine
SMILESCCc1cc(CC2CC(CC)CCC2CN)n(C)n1
InChIInChI=1S/C16H29N3/c1-4-12-6-7-13(11-17)14(8-12)9-16-10-15(5-2)18-19(16)3/h10,12-14H,4-9,11,17H2,1-3H3
InChIKeyZHVSWSDFUSWGGL-UHFFFAOYSA-N
XLogP2.93
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-ethyl-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclohexyl]methanamine 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 [4-ethyl-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclohexyl]methanamine?
The IUPAC name of [4-ethyl-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclohexyl]methanamine (CID 81012010) is [4-ethyl-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-ethyl-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclohexyl]methanamine?
The canonical SMILES for [4-ethyl-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclohexyl]methanamine is CCc1cc(CC2CC(CC)CCC2CN)n(C)n1.
What is the InChIKey of [4-ethyl-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclohexyl]methanamine?
The InChIKey is ZHVSWSDFUSWGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-4-12-6-7-13(11-17)14(8-12)9-16-10-15(5-2)18-19(16)3/h10,12-14H,4-9,11,17H2,1-3H3.
What are the key properties of [4-ethyl-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclohexyl]methanamine?
[4-ethyl-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclohexyl]methanamine has a molecular weight of 263.43 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclohexyl]methanamine is sourced from PubChem (CID 81012010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).