2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4,4-dimethylcyclohexan-1-amine

C14H24ClN3 — CID 81013682

IUPAC2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4,4-dimethylcyclohexan-1-amine
SMILESCc1nn(C)c(CC2CC(C)(C)CCC2N)c1Cl
InChIInChI=1S/C14H24ClN3/c1-9-13(15)12(18(4)17-9)7-10-8-14(2,3)6-5-11(10)16/h10-11H,5-8,16H2,1-4H3
InChIKeyLVHBCRWRZWZNSH-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.08
Rot. Bonds2

About 2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4,4-dimethylcyclohexan-1-amine

2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4,4-dimethylcyclohexan-1-amine (PubChem CID 81013682) has the molecular formula C14H24ClN3 and a molecular weight of 269.82 g/mol. Its IUPAC name is 2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4,4-dimethylcyclohexan-1-amine
PubChem CID81013682
Molecular FormulaC14H24ClN3
Molecular Weight269.82 g/mol
Exact Mass269.17
IUPAC Name2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4,4-dimethylcyclohexan-1-amine
SMILESCc1nn(C)c(CC2CC(C)(C)CCC2N)c1Cl
InChIInChI=1S/C14H24ClN3/c1-9-13(15)12(18(4)17-9)7-10-8-14(2,3)6-5-11(10)16/h10-11H,5-8,16H2,1-4H3
InChIKeyLVHBCRWRZWZNSH-UHFFFAOYSA-N
XLogP3.08
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4,4-dimethylcyclohexan-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 2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4,4-dimethylcyclohexan-1-amine?
The IUPAC name of 2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4,4-dimethylcyclohexan-1-amine (CID 81013682) is 2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4,4-dimethylcyclohexan-1-amine is Cc1nn(C)c(CC2CC(C)(C)CCC2N)c1Cl.
What is the InChIKey of 2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4,4-dimethylcyclohexan-1-amine?
The InChIKey is LVHBCRWRZWZNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3/c1-9-13(15)12(18(4)17-9)7-10-8-14(2,3)6-5-11(10)16/h10-11H,5-8,16H2,1-4H3.
What are the key properties of 2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4,4-dimethylcyclohexan-1-amine?
2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4,4-dimethylcyclohexan-1-amine has a molecular weight of 269.82 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 81013682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).