4-chloro-N-[2-(difluoromethoxy)phenyl]-1-methylpyrazole-3-carboxamide

C12H10ClF2N3O2 — CID 19263680

IUPAC4-chloro-N-[2-(difluoromethoxy)phenyl]-1-methylpyrazole-3-carboxamide
SMILESCn1cc(Cl)c(C(=O)Nc2ccccc2OC(F)F)n1
InChIInChI=1S/C12H10ClF2N3O2/c1-18-6-7(13)10(17-18)11(19)16-8-4-2-3-5-9(8)20-12(14)15/h2-6,12H,1H3,(H,16,19)
InChIKeyBBXLBFVXIRHWJV-UHFFFAOYSA-N
MW301.68 g/mol
LogP2.93
Rot. Bonds4

About 4-chloro-N-[2-(difluoromethoxy)phenyl]-1-methylpyrazole-3-carboxamide

4-chloro-N-[2-(difluoromethoxy)phenyl]-1-methylpyrazole-3-carboxamide (PubChem CID 19263680) has the molecular formula C12H10ClF2N3O2 and a molecular weight of 301.68 g/mol. Its IUPAC name is 4-chloro-N-[2-(difluoromethoxy)phenyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-(difluoromethoxy)phenyl]-1-methylpyrazole-3-carboxamide
PubChem CID19263680
Molecular FormulaC12H10ClF2N3O2
Molecular Weight301.68 g/mol
Exact Mass301.04
IUPAC Name4-chloro-N-[2-(difluoromethoxy)phenyl]-1-methylpyrazole-3-carboxamide
SMILESCn1cc(Cl)c(C(=O)Nc2ccccc2OC(F)F)n1
InChIInChI=1S/C12H10ClF2N3O2/c1-18-6-7(13)10(17-18)11(19)16-8-4-2-3-5-9(8)20-12(14)15/h2-6,12H,1H3,(H,16,19)
InChIKeyBBXLBFVXIRHWJV-UHFFFAOYSA-N
XLogP2.93
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.68
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[2-(difluoromethoxy)phenyl]-1-methylpyrazole-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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(difluoromethoxy)phenyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N-[2-(difluoromethoxy)phenyl]-1-methylpyrazole-3-carboxamide (CID 19263680) is 4-chloro-N-[2-(difluoromethoxy)phenyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-(difluoromethoxy)phenyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-[2-(difluoromethoxy)phenyl]-1-methylpyrazole-3-carboxamide is Cn1cc(Cl)c(C(=O)Nc2ccccc2OC(F)F)n1.
What is the InChIKey of 4-chloro-N-[2-(difluoromethoxy)phenyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is BBXLBFVXIRHWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF2N3O2/c1-18-6-7(13)10(17-18)11(19)16-8-4-2-3-5-9(8)20-12(14)15/h2-6,12H,1H3,(H,16,19).
What are the key properties of 4-chloro-N-[2-(difluoromethoxy)phenyl]-1-methylpyrazole-3-carboxamide?
4-chloro-N-[2-(difluoromethoxy)phenyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 301.68 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(difluoromethoxy)phenyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 19263680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).