N-(3,5-difluorophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide

C17H13F2N3O — CID 850668

IUPACN-(3,5-difluorophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cc(F)cc(F)c2)cnn1-c1ccccc1
InChIInChI=1S/C17H13F2N3O/c1-11-16(10-20-22(11)15-5-3-2-4-6-15)17(23)21-14-8-12(18)7-13(19)9-14/h2-10H,1H3,(H,21,23)
InChIKeyJZYSTFXSYMBXHB-UHFFFAOYSA-N
MW313.31 g/mol
LogP3.71
Rot. Bonds3

About N-(3,5-difluorophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide

N-(3,5-difluorophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 850668) has the molecular formula C17H13F2N3O and a molecular weight of 313.31 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID850668
Molecular FormulaC17H13F2N3O
Molecular Weight313.31 g/mol
Exact Mass313.10
IUPAC NameN-(3,5-difluorophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cc(F)cc(F)c2)cnn1-c1ccccc1
InChIInChI=1S/C17H13F2N3O/c1-11-16(10-20-22(11)15-5-3-2-4-6-15)17(23)21-14-8-12(18)7-13(19)9-14/h2-10H,1H3,(H,21,23)
InChIKeyJZYSTFXSYMBXHB-UHFFFAOYSA-N
XLogP3.71
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(5-Methyl-1-phenyl-1H-pyrazol-4-yl)ethan-1-one
CID 80207
Tert-butyl 4-[1-(2,4-difluorophenyl)-4-[[3-(trifluoromethyl)phenyl]carbamoyl]pyrazol-5-yl]piperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(3,5-difluorophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide (CID 850668) is N-(3,5-difluorophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(3,5-difluorophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2cc(F)cc(F)c2)cnn1-c1ccccc1.
What is the InChIKey of N-(3,5-difluorophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is JZYSTFXSYMBXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O/c1-11-16(10-20-22(11)15-5-3-2-4-6-15)17(23)21-14-8-12(18)7-13(19)9-14/h2-10H,1H3,(H,21,23).
What are the key properties of N-(3,5-difluorophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
N-(3,5-difluorophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 313.31 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 850668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).