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

C13H12ClF2N3O2 — CID 19263377

IUPAC4-chloro-N-[2-(difluoromethoxy)phenyl]-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(Cl)c(C(=O)Nc2ccccc2OC(F)F)n1
InChIInChI=1S/C13H12ClF2N3O2/c1-2-19-7-8(14)11(18-19)12(20)17-9-5-3-4-6-10(9)21-13(15)16/h3-7,13H,2H2,1H3,(H,17,20)
InChIKeyDXAVRGRPZVUBCQ-UHFFFAOYSA-N
MW315.71 g/mol
LogP3.41
Rot. Bonds5

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

4-chloro-N-[2-(difluoromethoxy)phenyl]-1-ethylpyrazole-3-carboxamide (PubChem CID 19263377) has the molecular formula C13H12ClF2N3O2 and a molecular weight of 315.71 g/mol. Its IUPAC name is 4-chloro-N-[2-(difluoromethoxy)phenyl]-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-(difluoromethoxy)phenyl]-1-ethylpyrazole-3-carboxamide
PubChem CID19263377
Molecular FormulaC13H12ClF2N3O2
Molecular Weight315.71 g/mol
Exact Mass315.06
IUPAC Name4-chloro-N-[2-(difluoromethoxy)phenyl]-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(Cl)c(C(=O)Nc2ccccc2OC(F)F)n1
InChIInChI=1S/C13H12ClF2N3O2/c1-2-19-7-8(14)11(18-19)12(20)17-9-5-3-4-6-10(9)21-13(15)16/h3-7,13H,2H2,1H3,(H,17,20)
InChIKeyDXAVRGRPZVUBCQ-UHFFFAOYSA-N
XLogP3.41
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.71
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(difluoromethoxy)phenyl]-1-ethylpyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N-[2-(difluoromethoxy)phenyl]-1-ethylpyrazole-3-carboxamide (CID 19263377) is 4-chloro-N-[2-(difluoromethoxy)phenyl]-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-(difluoromethoxy)phenyl]-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-[2-(difluoromethoxy)phenyl]-1-ethylpyrazole-3-carboxamide is CCn1cc(Cl)c(C(=O)Nc2ccccc2OC(F)F)n1.
What is the InChIKey of 4-chloro-N-[2-(difluoromethoxy)phenyl]-1-ethylpyrazole-3-carboxamide?
The InChIKey is DXAVRGRPZVUBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF2N3O2/c1-2-19-7-8(14)11(18-19)12(20)17-9-5-3-4-6-10(9)21-13(15)16/h3-7,13H,2H2,1H3,(H,17,20).
What are the key properties of 4-chloro-N-[2-(difluoromethoxy)phenyl]-1-ethylpyrazole-3-carboxamide?
4-chloro-N-[2-(difluoromethoxy)phenyl]-1-ethylpyrazole-3-carboxamide has a molecular weight of 315.71 g/mol, XLogP of 3.41, 5 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-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 19263377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).