5-fluoro-3-methyl-1-phenylpyrazole-4-carboxamide

C11H10FN3O — CID 121222038

IUPAC5-fluoro-3-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(F)c1C(N)=O
InChIInChI=1S/C11H10FN3O/c1-7-9(11(13)16)10(12)15(14-7)8-5-3-2-4-6-8/h2-6H,1H3,(H2,13,16)
InChIKeyRPIUEASNZVPTOM-UHFFFAOYSA-N
MW219.22 g/mol
LogP1.42
Rot. Bonds2

About 5-fluoro-3-methyl-1-phenylpyrazole-4-carboxamide

5-fluoro-3-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 121222038) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is 5-fluoro-3-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-fluoro-3-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID121222038
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name5-fluoro-3-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(F)c1C(N)=O
InChIInChI=1S/C11H10FN3O/c1-7-9(11(13)16)10(12)15(14-7)8-5-3-2-4-6-8/h2-6H,1H3,(H2,13,16)
InChIKeyRPIUEASNZVPTOM-UHFFFAOYSA-N
XLogP1.42
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3,5-bis(5-hydroxy-3-methyl-1-phenylpyrazole-4-carbonyl)phenyl]-(5-hydroxy-3-methyl-1-phenylpyrazol-4-yl)methanone
CID 136797774
3-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]amino]-5-fluoro-4-methylbenzamide
CID 55784945
4-amino-3-methyl-1-phenylpyrazole-5-carboxylic acid
CID 82393477
5-methyl-1-phenylpyrazole-3-carboxamide
CID 68896199
(2,6-difluorophenyl)-(4-hydroxy-3-methyl-1-phenylpyrazol-5-yl)methanone
CID 136722892
azepan-1-yl-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone
CID 9036569
(5-amino-1,2,4-triazol-1-yl)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone
CID 843426
N-(2-aminoethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 119382148
5-(2-hydroxyethyl)-3-methyl-1-phenylpyrazole-4-carboxylic acid
CID 12826132
5-amino-3-methoxy-1-phenylpyrazole-4-carboxamide
CID 16784714
N-(3,4-difluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 26245099
(E)-1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(2-fluorophenyl)prop-2-en-1-one
CID 52753947

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-fluoro-3-methyl-1-phenylpyrazole-4-carboxamide (CID 121222038) is 5-fluoro-3-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-fluoro-3-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-fluoro-3-methyl-1-phenylpyrazole-4-carboxamide is Cc1nn(-c2ccccc2)c(F)c1C(N)=O.
What is the InChIKey of 5-fluoro-3-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is RPIUEASNZVPTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c1-7-9(11(13)16)10(12)15(14-7)8-5-3-2-4-6-8/h2-6H,1H3,(H2,13,16).
What are the key properties of 5-fluoro-3-methyl-1-phenylpyrazole-4-carboxamide?
5-fluoro-3-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 219.22 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 121222038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).