3-(3,4-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide

C11H9F2N3O — CID 57458967

IUPAC3-(3,4-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(-c2ccc(F)c(F)c2)c1C(N)=O
InChIInChI=1S/C11H9F2N3O/c1-5-9(11(14)17)10(16-15-5)6-2-3-7(12)8(13)4-6/h2-4H,1H3,(H2,14,17)(H,15,16)
InChIKeyOMJHDINJFPZWEQ-UHFFFAOYSA-N
MW237.21 g/mol
LogP1.76
Rot. Bonds2

About 3-(3,4-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide

3-(3,4-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 57458967) has the molecular formula C11H9F2N3O and a molecular weight of 237.21 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID57458967
Molecular FormulaC11H9F2N3O
Molecular Weight237.21 g/mol
Exact Mass237.07
IUPAC Name3-(3,4-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(-c2ccc(F)c(F)c2)c1C(N)=O
InChIInChI=1S/C11H9F2N3O/c1-5-9(11(14)17)10(16-15-5)6-2-3-7(12)8(13)4-6/h2-4H,1H3,(H2,14,17)(H,15,16)
InChIKeyOMJHDINJFPZWEQ-UHFFFAOYSA-N
XLogP1.76
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-(3,4-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide (CID 57458967) is 3-(3,4-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-(3,4-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-(3,4-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide is Cc1[nH]nc(-c2ccc(F)c(F)c2)c1C(N)=O.
What is the InChIKey of 3-(3,4-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is OMJHDINJFPZWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3O/c1-5-9(11(14)17)10(16-15-5)6-2-3-7(12)8(13)4-6/h2-4H,1H3,(H2,14,17)(H,15,16).
What are the key properties of 3-(3,4-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide?
3-(3,4-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 237.21 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 57458967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).