3-chloro-N-(2,2-dimethylpropyl)-2-pyrazol-1-ylaniline

C14H18ClN3 — CID 61325153

IUPAC3-chloro-N-(2,2-dimethylpropyl)-2-pyrazol-1-ylaniline
SMILESCC(C)(C)CNc1cccc(Cl)c1-n1cccn1
InChIInChI=1S/C14H18ClN3/c1-14(2,3)10-16-12-7-4-6-11(15)13(12)18-9-5-8-17-18/h4-9,16H,10H2,1-3H3
InChIKeyCEYMXIPXVIKHAE-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.98
Rot. Bonds3

About 3-chloro-N-(2,2-dimethylpropyl)-2-pyrazol-1-ylaniline

3-chloro-N-(2,2-dimethylpropyl)-2-pyrazol-1-ylaniline (PubChem CID 61325153) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 3-chloro-N-(2,2-dimethylpropyl)-2-pyrazol-1-ylaniline.

Molecular Properties

Compound Name3-chloro-N-(2,2-dimethylpropyl)-2-pyrazol-1-ylaniline
PubChem CID61325153
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name3-chloro-N-(2,2-dimethylpropyl)-2-pyrazol-1-ylaniline
SMILESCC(C)(C)CNc1cccc(Cl)c1-n1cccn1
InChIInChI=1S/C14H18ClN3/c1-14(2,3)10-16-12-7-4-6-11(15)13(12)18-9-5-8-17-18/h4-9,16H,10H2,1-3H3
InChIKeyCEYMXIPXVIKHAE-UHFFFAOYSA-N
XLogP3.98
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-chloro-N-(2,2-dimethylpropyl)-2-pyrazol-1-ylaniline 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 3-chloro-N-(2,2-dimethylpropyl)-2-pyrazol-1-ylaniline?
The IUPAC name of 3-chloro-N-(2,2-dimethylpropyl)-2-pyrazol-1-ylaniline (CID 61325153) is 3-chloro-N-(2,2-dimethylpropyl)-2-pyrazol-1-ylaniline.
What is the SMILES notation for 3-chloro-N-(2,2-dimethylpropyl)-2-pyrazol-1-ylaniline?
The canonical SMILES for 3-chloro-N-(2,2-dimethylpropyl)-2-pyrazol-1-ylaniline is CC(C)(C)CNc1cccc(Cl)c1-n1cccn1.
What is the InChIKey of 3-chloro-N-(2,2-dimethylpropyl)-2-pyrazol-1-ylaniline?
The InChIKey is CEYMXIPXVIKHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-14(2,3)10-16-12-7-4-6-11(15)13(12)18-9-5-8-17-18/h4-9,16H,10H2,1-3H3.
What are the key properties of 3-chloro-N-(2,2-dimethylpropyl)-2-pyrazol-1-ylaniline?
3-chloro-N-(2,2-dimethylpropyl)-2-pyrazol-1-ylaniline has a molecular weight of 263.77 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,2-dimethylpropyl)-2-pyrazol-1-ylaniline is sourced from PubChem (CID 61325153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).