3-chloro-N-(1,1-difluoropropan-2-yl)-2-pyrazol-1-ylaniline

C12H12ClF2N3 — CID 102869143

IUPAC3-chloro-N-(1,1-difluoropropan-2-yl)-2-pyrazol-1-ylaniline
SMILESCC(Nc1cccc(Cl)c1-n1cccn1)C(F)F
InChIInChI=1S/C12H12ClF2N3/c1-8(12(14)15)17-10-5-2-4-9(13)11(10)18-7-3-6-16-18/h2-8,12,17H,1H3
InChIKeyFYDZWVHFNINFRY-UHFFFAOYSA-N
MW271.70 g/mol
LogP3.59
Rot. Bonds4

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

3-chloro-N-(1,1-difluoropropan-2-yl)-2-pyrazol-1-ylaniline (PubChem CID 102869143) has the molecular formula C12H12ClF2N3 and a molecular weight of 271.70 g/mol. Its IUPAC name is 3-chloro-N-(1,1-difluoropropan-2-yl)-2-pyrazol-1-ylaniline.

Molecular Properties

Compound Name3-chloro-N-(1,1-difluoropropan-2-yl)-2-pyrazol-1-ylaniline
PubChem CID102869143
Molecular FormulaC12H12ClF2N3
Molecular Weight271.70 g/mol
Exact Mass271.07
IUPAC Name3-chloro-N-(1,1-difluoropropan-2-yl)-2-pyrazol-1-ylaniline
SMILESCC(Nc1cccc(Cl)c1-n1cccn1)C(F)F
InChIInChI=1S/C12H12ClF2N3/c1-8(12(14)15)17-10-5-2-4-9(13)11(10)18-7-3-6-16-18/h2-8,12,17H,1H3
InChIKeyFYDZWVHFNINFRY-UHFFFAOYSA-N
XLogP3.59
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-chloro-N-(1,1-difluoropropan-2-yl)-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-(1,1-difluoropropan-2-yl)-2-pyrazol-1-ylaniline?
The IUPAC name of 3-chloro-N-(1,1-difluoropropan-2-yl)-2-pyrazol-1-ylaniline (CID 102869143) is 3-chloro-N-(1,1-difluoropropan-2-yl)-2-pyrazol-1-ylaniline.
What is the SMILES notation for 3-chloro-N-(1,1-difluoropropan-2-yl)-2-pyrazol-1-ylaniline?
The canonical SMILES for 3-chloro-N-(1,1-difluoropropan-2-yl)-2-pyrazol-1-ylaniline is CC(Nc1cccc(Cl)c1-n1cccn1)C(F)F.
What is the InChIKey of 3-chloro-N-(1,1-difluoropropan-2-yl)-2-pyrazol-1-ylaniline?
The InChIKey is FYDZWVHFNINFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF2N3/c1-8(12(14)15)17-10-5-2-4-9(13)11(10)18-7-3-6-16-18/h2-8,12,17H,1H3.
What are the key properties of 3-chloro-N-(1,1-difluoropropan-2-yl)-2-pyrazol-1-ylaniline?
3-chloro-N-(1,1-difluoropropan-2-yl)-2-pyrazol-1-ylaniline has a molecular weight of 271.70 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1,1-difluoropropan-2-yl)-2-pyrazol-1-ylaniline is sourced from PubChem (CID 102869143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).