4-chloro-3-(2,2-difluoroethoxy)pyrazole-3-carboxamide

C6H6ClF2N3O2 — CID 141331738

IUPAC4-chloro-3-(2,2-difluoroethoxy)pyrazole-3-carboxamide
SMILESNC(=O)C1(OCC(F)F)N=NC=C1Cl
InChIInChI=1S/C6H6ClF2N3O2/c7-3-1-11-12-6(3,5(10)13)14-2-4(8)9/h1,4H,2H2,(H2,10,13)
InChIKeyHJAATBYSWGKJCC-UHFFFAOYSA-N
MW225.58 g/mol
LogP1.00
Rot. Bonds4

About 4-chloro-3-(2,2-difluoroethoxy)pyrazole-3-carboxamide

4-chloro-3-(2,2-difluoroethoxy)pyrazole-3-carboxamide (PubChem CID 141331738) has the molecular formula C6H6ClF2N3O2 and a molecular weight of 225.58 g/mol. Its IUPAC name is 4-chloro-3-(2,2-difluoroethoxy)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-3-(2,2-difluoroethoxy)pyrazole-3-carboxamide
PubChem CID141331738
Molecular FormulaC6H6ClF2N3O2
Molecular Weight225.58 g/mol
Exact Mass225.01
IUPAC Name4-chloro-3-(2,2-difluoroethoxy)pyrazole-3-carboxamide
SMILESNC(=O)C1(OCC(F)F)N=NC=C1Cl
InChIInChI=1S/C6H6ClF2N3O2/c7-3-1-11-12-6(3,5(10)13)14-2-4(8)9/h1,4H,2H2,(H2,10,13)
InChIKeyHJAATBYSWGKJCC-UHFFFAOYSA-N
XLogP1.00
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.58
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-3-(2,2-difluoroethoxy)pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,2-Difluoroethoxy)pyrazole-3-carboxamide
CID 141324767
3-(2,2,3,3-Tetrafluoropropoxy)pyrazole-3-carboxamide
CID 141357219
4-Chloro-3-(1,2-difluoroethoxy)pyrazole-3-carboxamide
CID 174699104
3-(1,2-Difluoroethoxy)pyrazole-3-carboxamide
CID 174742292
3-(2,2,2-Trifluoroethoxy)pyrazole-3-carboxamide
CID 174851025

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(2,2-difluoroethoxy)pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-3-(2,2-difluoroethoxy)pyrazole-3-carboxamide (CID 141331738) is 4-chloro-3-(2,2-difluoroethoxy)pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-3-(2,2-difluoroethoxy)pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-3-(2,2-difluoroethoxy)pyrazole-3-carboxamide is NC(=O)C1(OCC(F)F)N=NC=C1Cl.
What is the InChIKey of 4-chloro-3-(2,2-difluoroethoxy)pyrazole-3-carboxamide?
The InChIKey is HJAATBYSWGKJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClF2N3O2/c7-3-1-11-12-6(3,5(10)13)14-2-4(8)9/h1,4H,2H2,(H2,10,13).
What are the key properties of 4-chloro-3-(2,2-difluoroethoxy)pyrazole-3-carboxamide?
4-chloro-3-(2,2-difluoroethoxy)pyrazole-3-carboxamide has a molecular weight of 225.58 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(2,2-difluoroethoxy)pyrazole-3-carboxamide is sourced from PubChem (CID 141331738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).