5-[(3-fluorobenzoyl)amino]-1-methylpyrazole-4-carboxylic acid

C12H10FN3O3 — CID 110483243

IUPAC5-[(3-fluorobenzoyl)amino]-1-methylpyrazole-4-carboxylic acid
SMILESCn1ncc(C(=O)O)c1NC(=O)c1cccc(F)c1
InChIInChI=1S/C12H10FN3O3/c1-16-10(9(6-14-16)12(18)19)15-11(17)7-3-2-4-8(13)5-7/h2-6H,1H3,(H,15,17)(H,18,19)
InChIKeyPHSXIGNLVHXPHA-UHFFFAOYSA-N
MW263.23 g/mol
LogP1.51
Rot. Bonds3

About 5-[(3-fluorobenzoyl)amino]-1-methylpyrazole-4-carboxylic acid

5-[(3-fluorobenzoyl)amino]-1-methylpyrazole-4-carboxylic acid (PubChem CID 110483243) has the molecular formula C12H10FN3O3 and a molecular weight of 263.23 g/mol. Its IUPAC name is 5-[(3-fluorobenzoyl)amino]-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(3-fluorobenzoyl)amino]-1-methylpyrazole-4-carboxylic acid
PubChem CID110483243
Molecular FormulaC12H10FN3O3
Molecular Weight263.23 g/mol
Exact Mass263.07
IUPAC Name5-[(3-fluorobenzoyl)amino]-1-methylpyrazole-4-carboxylic acid
SMILESCn1ncc(C(=O)O)c1NC(=O)c1cccc(F)c1
InChIInChI=1S/C12H10FN3O3/c1-16-10(9(6-14-16)12(18)19)15-11(17)7-3-2-4-8(13)5-7/h2-6H,1H3,(H,15,17)(H,18,19)
InChIKeyPHSXIGNLVHXPHA-UHFFFAOYSA-N
XLogP1.51
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-(2-methylpyrazol-3-yl)benzamide
CID 110472464
3-fluoro-N-(1-methylindazol-6-yl)benzamide
CID 110462740
5-[(3-fluorobenzoyl)amino]-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 1347968
3-fluoro-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]benzamide
CID 19337047
6-[(3-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 61318981
N-(4-amino-1-methylpyrazol-5-yl)-5-fluoropyridine-3-carboxamide
CID 113452799
5-amino-N-[(3-fluorophenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 115330388
N-(4-carbamothioyl-1-methylpyrazol-5-yl)-2,4-difluorobenzamide
CID 79499966
N-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-phenylpyrazol-5-yl]-3-fluorobenzamide
CID 1068289
1-methyl-5-(propanoylamino)pyrazole-4-carboxylic acid
CID 110477561
5-benzamido-1-phenylpyrazole-4-carboxylic acid
CID 16638016
ethyl 5-[(3-cyanobenzoyl)amino]-1-methylpyrazole-4-carboxylate
CID 108738870

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorobenzoyl)amino]-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 5-[(3-fluorobenzoyl)amino]-1-methylpyrazole-4-carboxylic acid (CID 110483243) is 5-[(3-fluorobenzoyl)amino]-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[(3-fluorobenzoyl)amino]-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-[(3-fluorobenzoyl)amino]-1-methylpyrazole-4-carboxylic acid is Cn1ncc(C(=O)O)c1NC(=O)c1cccc(F)c1.
What is the InChIKey of 5-[(3-fluorobenzoyl)amino]-1-methylpyrazole-4-carboxylic acid?
The InChIKey is PHSXIGNLVHXPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O3/c1-16-10(9(6-14-16)12(18)19)15-11(17)7-3-2-4-8(13)5-7/h2-6H,1H3,(H,15,17)(H,18,19).
What are the key properties of 5-[(3-fluorobenzoyl)amino]-1-methylpyrazole-4-carboxylic acid?
5-[(3-fluorobenzoyl)amino]-1-methylpyrazole-4-carboxylic acid has a molecular weight of 263.23 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorobenzoyl)amino]-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 110483243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).