N-(2,2-dimethylcyclohexyl)-3-(1H-pyrazol-5-yl)aniline

C17H23N3 — CID 79834530

IUPACN-(2,2-dimethylcyclohexyl)-3-(1H-pyrazol-5-yl)aniline
SMILESCC1(C)CCCCC1Nc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C17H23N3/c1-17(2)10-4-3-8-16(17)19-14-7-5-6-13(12-14)15-9-11-18-20-15/h5-7,9,11-12,16,19H,3-4,8,10H2,1-2H3,(H,18,20)
InChIKeyZOXXKQLFWOZXEO-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.46
Rot. Bonds3

About N-(2,2-dimethylcyclohexyl)-3-(1H-pyrazol-5-yl)aniline

N-(2,2-dimethylcyclohexyl)-3-(1H-pyrazol-5-yl)aniline (PubChem CID 79834530) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-(2,2-dimethylcyclohexyl)-3-(1H-pyrazol-5-yl)aniline.

Molecular Properties

Compound NameN-(2,2-dimethylcyclohexyl)-3-(1H-pyrazol-5-yl)aniline
PubChem CID79834530
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-(2,2-dimethylcyclohexyl)-3-(1H-pyrazol-5-yl)aniline
SMILESCC1(C)CCCCC1Nc1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C17H23N3/c1-17(2)10-4-3-8-16(17)19-14-7-5-6-13(12-14)15-9-11-18-20-15/h5-7,9,11-12,16,19H,3-4,8,10H2,1-2H3,(H,18,20)
InChIKeyZOXXKQLFWOZXEO-UHFFFAOYSA-N
XLogP4.46
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2,2-dimethylcyclohexyl)-3-(1H-pyrazol-5-yl)aniline 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-(2,2-dimethylcyclohexyl)-3-(1H-pyrazol-5-yl)aniline?
The IUPAC name of N-(2,2-dimethylcyclohexyl)-3-(1H-pyrazol-5-yl)aniline (CID 79834530) is N-(2,2-dimethylcyclohexyl)-3-(1H-pyrazol-5-yl)aniline.
What is the SMILES notation for N-(2,2-dimethylcyclohexyl)-3-(1H-pyrazol-5-yl)aniline?
The canonical SMILES for N-(2,2-dimethylcyclohexyl)-3-(1H-pyrazol-5-yl)aniline is CC1(C)CCCCC1Nc1cccc(-c2ccn[nH]2)c1.
What is the InChIKey of N-(2,2-dimethylcyclohexyl)-3-(1H-pyrazol-5-yl)aniline?
The InChIKey is ZOXXKQLFWOZXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-17(2)10-4-3-8-16(17)19-14-7-5-6-13(12-14)15-9-11-18-20-15/h5-7,9,11-12,16,19H,3-4,8,10H2,1-2H3,(H,18,20).
What are the key properties of N-(2,2-dimethylcyclohexyl)-3-(1H-pyrazol-5-yl)aniline?
N-(2,2-dimethylcyclohexyl)-3-(1H-pyrazol-5-yl)aniline has a molecular weight of 269.39 g/mol, XLogP of 4.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclohexyl)-3-(1H-pyrazol-5-yl)aniline is sourced from PubChem (CID 79834530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).