N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]cyclohexanamine

C18H25N3 — CID 43406561

IUPACN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]cyclohexanamine
SMILESCc1nn(-c2ccccc2)c(C)c1CNC1CCCCC1
InChIInChI=1S/C18H25N3/c1-14-18(13-19-16-9-5-3-6-10-16)15(2)21(20-14)17-11-7-4-8-12-17/h4,7-8,11-12,16,19H,3,5-6,9-10,13H2,1-2H3
InChIKeyJVELNROASIOTSO-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.91
Rot. Bonds4

About N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]cyclohexanamine

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]cyclohexanamine (PubChem CID 43406561) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]cyclohexanamine
PubChem CID43406561
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]cyclohexanamine
SMILESCc1nn(-c2ccccc2)c(C)c1CNC1CCCCC1
InChIInChI=1S/C18H25N3/c1-14-18(13-19-16-9-5-3-6-10-16)15(2)21(20-14)17-11-7-4-8-12-17/h4,7-8,11-12,16,19H,3,5-6,9-10,13H2,1-2H3
InChIKeyJVELNROASIOTSO-UHFFFAOYSA-N
XLogP3.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]cyclohexanamine 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-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]cyclohexanamine?
The IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]cyclohexanamine (CID 43406561) is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]cyclohexanamine.
What is the SMILES notation for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]cyclohexanamine?
The canonical SMILES for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]cyclohexanamine is Cc1nn(-c2ccccc2)c(C)c1CNC1CCCCC1.
What is the InChIKey of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]cyclohexanamine?
The InChIKey is JVELNROASIOTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-14-18(13-19-16-9-5-3-6-10-16)15(2)21(20-14)17-11-7-4-8-12-17/h4,7-8,11-12,16,19H,3,5-6,9-10,13H2,1-2H3.
What are the key properties of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]cyclohexanamine?
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]cyclohexanamine has a molecular weight of 283.42 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]cyclohexanamine is sourced from PubChem (CID 43406561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).