4-chloro-N-(2,4-difluorophenyl)-1-methylpyrazole-3-carboxamide

C11H8ClF2N3O — CID 891916

IUPAC4-chloro-N-(2,4-difluorophenyl)-1-methylpyrazole-3-carboxamide
SMILESCn1cc(Cl)c(C(=O)Nc2ccc(F)cc2F)n1
InChIInChI=1S/C11H8ClF2N3O/c1-17-5-7(12)10(16-17)11(18)15-9-3-2-6(13)4-8(9)14/h2-5H,1H3,(H,15,18)
InChIKeyFDLGZSCHCOZAOP-UHFFFAOYSA-N
MW271.65 g/mol
LogP2.60
Rot. Bonds2

About 4-chloro-N-(2,4-difluorophenyl)-1-methylpyrazole-3-carboxamide

4-chloro-N-(2,4-difluorophenyl)-1-methylpyrazole-3-carboxamide (PubChem CID 891916) has the molecular formula C11H8ClF2N3O and a molecular weight of 271.65 g/mol. Its IUPAC name is 4-chloro-N-(2,4-difluorophenyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2,4-difluorophenyl)-1-methylpyrazole-3-carboxamide
PubChem CID891916
Molecular FormulaC11H8ClF2N3O
Molecular Weight271.65 g/mol
Exact Mass271.03
IUPAC Name4-chloro-N-(2,4-difluorophenyl)-1-methylpyrazole-3-carboxamide
SMILESCn1cc(Cl)c(C(=O)Nc2ccc(F)cc2F)n1
InChIInChI=1S/C11H8ClF2N3O/c1-17-5-7(12)10(16-17)11(18)15-9-3-2-6(13)4-8(9)14/h2-5H,1H3,(H,15,18)
InChIKeyFDLGZSCHCOZAOP-UHFFFAOYSA-N
XLogP2.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.65
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,4-difluorophenyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N-(2,4-difluorophenyl)-1-methylpyrazole-3-carboxamide (CID 891916) is 4-chloro-N-(2,4-difluorophenyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(2,4-difluorophenyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-(2,4-difluorophenyl)-1-methylpyrazole-3-carboxamide is Cn1cc(Cl)c(C(=O)Nc2ccc(F)cc2F)n1.
What is the InChIKey of 4-chloro-N-(2,4-difluorophenyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is FDLGZSCHCOZAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF2N3O/c1-17-5-7(12)10(16-17)11(18)15-9-3-2-6(13)4-8(9)14/h2-5H,1H3,(H,15,18).
What are the key properties of 4-chloro-N-(2,4-difluorophenyl)-1-methylpyrazole-3-carboxamide?
4-chloro-N-(2,4-difluorophenyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 271.65 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,4-difluorophenyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 891916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).