N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-3-methylcyclohexan-1-amine

C16H29N3 — CID 62567794

IUPACN-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-3-methylcyclohexan-1-amine
SMILESCCc1c(C)nn(CCNC2CCCC(C)C2)c1C
InChIInChI=1S/C16H29N3/c1-5-16-13(3)18-19(14(16)4)10-9-17-15-8-6-7-12(2)11-15/h12,15,17H,5-11H2,1-4H3
InChIKeyPIJYXHGIIWXQCK-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.23
Rot. Bonds5

About N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-3-methylcyclohexan-1-amine

N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-3-methylcyclohexan-1-amine (PubChem CID 62567794) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-3-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-3-methylcyclohexan-1-amine
PubChem CID62567794
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-3-methylcyclohexan-1-amine
SMILESCCc1c(C)nn(CCNC2CCCC(C)C2)c1C
InChIInChI=1S/C16H29N3/c1-5-16-13(3)18-19(14(16)4)10-9-17-15-8-6-7-12(2)11-15/h12,15,17H,5-11H2,1-4H3
InChIKeyPIJYXHGIIWXQCK-UHFFFAOYSA-N
XLogP3.23
TPSA29.85 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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-3-methylcyclohexan-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 N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-3-methylcyclohexan-1-amine?
The IUPAC name of N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-3-methylcyclohexan-1-amine (CID 62567794) is N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-3-methylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-3-methylcyclohexan-1-amine?
The canonical SMILES for N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-3-methylcyclohexan-1-amine is CCc1c(C)nn(CCNC2CCCC(C)C2)c1C.
What is the InChIKey of N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-3-methylcyclohexan-1-amine?
The InChIKey is PIJYXHGIIWXQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-5-16-13(3)18-19(14(16)4)10-9-17-15-8-6-7-12(2)11-15/h12,15,17H,5-11H2,1-4H3.
What are the key properties of N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-3-methylcyclohexan-1-amine?
N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-3-methylcyclohexan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-3-methylcyclohexan-1-amine is sourced from PubChem (CID 62567794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).