4-(3-fluoroanilino)-1-methylpyrazole-5-carboxylic acid

C11H10FN3O2 — CID 12985697

IUPAC4-(3-fluoroanilino)-1-methylpyrazole-5-carboxylic acid
SMILESCn1ncc(Nc2cccc(F)c2)c1C(=O)O
InChIInChI=1S/C11H10FN3O2/c1-15-10(11(16)17)9(6-13-15)14-8-4-2-3-7(12)5-8/h2-6,14H,1H3,(H,16,17)
InChIKeyHTMCPJUUKOTIPZ-UHFFFAOYSA-N
MW235.22 g/mol
LogP2.00
Rot. Bonds3

About 4-(3-fluoroanilino)-1-methylpyrazole-5-carboxylic acid

4-(3-fluoroanilino)-1-methylpyrazole-5-carboxylic acid (PubChem CID 12985697) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is 4-(3-fluoroanilino)-1-methylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(3-fluoroanilino)-1-methylpyrazole-5-carboxylic acid
PubChem CID12985697
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC Name4-(3-fluoroanilino)-1-methylpyrazole-5-carboxylic acid
SMILESCn1ncc(Nc2cccc(F)c2)c1C(=O)O
InChIInChI=1S/C11H10FN3O2/c1-15-10(11(16)17)9(6-13-15)14-8-4-2-3-7(12)5-8/h2-6,14H,1H3,(H,16,17)
InChIKeyHTMCPJUUKOTIPZ-UHFFFAOYSA-N
XLogP2.00
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-fluorophenyl)methylamino]-1-methylpyrazole-5-carboxylic acid
CID 19624713
4-chloro-N-(3-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 6467156
4-[(3-chlorophenyl)carbamoylamino]-1-methylpyrazole-5-carboxylic acid
CID 19447892
4-[(3-chlorophenyl)carbamothioylamino]-1-methylpyrazole-5-carboxylic acid
CID 19343563
4,5-difluoro-2-(3-fluoroanilino)benzoic acid
CID 22632872
4-[[6-(3-fluoroanilino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113193335
3-fluoro-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]benzamide
CID 19337047
4-[5-amino-4-[2-(3-fluorophenyl)hydrazinyl]pyrazol-1-yl]benzoic acid
CID 91249390
4-[[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]-1-methylpyrazole-5-carboxylic acid
CID 19406237
3-N,5-N-bis(3-fluorophenyl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097363
1-(4-cyano-1-methylpyrazol-5-yl)-3-(3-fluorophenyl)urea
CID 79503956
5-[(3-fluorobenzoyl)amino]-1-methylpyrazole-4-carboxylic acid
CID 110483243

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoroanilino)-1-methylpyrazole-5-carboxylic acid?
The IUPAC name of 4-(3-fluoroanilino)-1-methylpyrazole-5-carboxylic acid (CID 12985697) is 4-(3-fluoroanilino)-1-methylpyrazole-5-carboxylic acid.
What is the SMILES notation for 4-(3-fluoroanilino)-1-methylpyrazole-5-carboxylic acid?
The canonical SMILES for 4-(3-fluoroanilino)-1-methylpyrazole-5-carboxylic acid is Cn1ncc(Nc2cccc(F)c2)c1C(=O)O.
What is the InChIKey of 4-(3-fluoroanilino)-1-methylpyrazole-5-carboxylic acid?
The InChIKey is HTMCPJUUKOTIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c1-15-10(11(16)17)9(6-13-15)14-8-4-2-3-7(12)5-8/h2-6,14H,1H3,(H,16,17).
What are the key properties of 4-(3-fluoroanilino)-1-methylpyrazole-5-carboxylic acid?
4-(3-fluoroanilino)-1-methylpyrazole-5-carboxylic acid has a molecular weight of 235.22 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoroanilino)-1-methylpyrazole-5-carboxylic acid is sourced from PubChem (CID 12985697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).