5-[(4-fluorophenyl)methylcarbamoyl]-1-methylpyrazole-3-carboxylic acid

C13H12FN3O3 — CID 4777142

IUPAC5-[(4-fluorophenyl)methylcarbamoyl]-1-methylpyrazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)cc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C13H12FN3O3/c1-17-11(6-10(16-17)13(19)20)12(18)15-7-8-2-4-9(14)5-3-8/h2-6H,7H2,1H3,(H,15,18)(H,19,20)
InChIKeyMNJBJVNQILFSFY-UHFFFAOYSA-N
MW277.26 g/mol
LogP1.19
Rot. Bonds4

About 5-[(4-fluorophenyl)methylcarbamoyl]-1-methylpyrazole-3-carboxylic acid

5-[(4-fluorophenyl)methylcarbamoyl]-1-methylpyrazole-3-carboxylic acid (PubChem CID 4777142) has the molecular formula C13H12FN3O3 and a molecular weight of 277.26 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methylcarbamoyl]-1-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methylcarbamoyl]-1-methylpyrazole-3-carboxylic acid
PubChem CID4777142
Molecular FormulaC13H12FN3O3
Molecular Weight277.26 g/mol
Exact Mass277.09
IUPAC Name5-[(4-fluorophenyl)methylcarbamoyl]-1-methylpyrazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)cc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C13H12FN3O3/c1-17-11(6-10(16-17)13(19)20)12(18)15-7-8-2-4-9(14)5-3-8/h2-6H,7H2,1H3,(H,15,18)(H,19,20)
InChIKeyMNJBJVNQILFSFY-UHFFFAOYSA-N
XLogP1.19
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(4-fluorophenyl)methylcarbamoyl]-1-methylpyrazole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-3-carboxamide
CID 122171425
N-[(4-fluorophenyl)methyl]-1-methyl-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 42759503
N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 46105412
N-[(4-cyanophenyl)methyl]-3-[(4-fluorophenyl)methylcarbamoylamino]-1-methylpyrazole-5-carboxamide
CID 70309035
4-[[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]methyl]benzoic acid
CID 66121497
5-(4-tert-butylphenyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-3-carboxamide
CID 46105017
(4-tert-butylphenyl)methanamine;3-methoxycarbonyl-1-methylpyrazole-5-carboxylic acid;methyl 5-[(4-tert-butylphenyl)methylcarbamoyl]-1-methylpyrazole-3-carboxylate
CID 158955718
N-[(4-fluorophenyl)methyl]-1-methylindazole-3-carboxamide
CID 71822185
N-[(4-fluorophenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159736
1-methyl-3-N,5-N-bis(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide
CID 29097126
3-(4-fluorophenyl)-1-methyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyrazole-5-carboxamide
CID 122274377
N-[(4-fluorophenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084148

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methylcarbamoyl]-1-methylpyrazole-3-carboxylic acid?
The IUPAC name of 5-[(4-fluorophenyl)methylcarbamoyl]-1-methylpyrazole-3-carboxylic acid (CID 4777142) is 5-[(4-fluorophenyl)methylcarbamoyl]-1-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-[(4-fluorophenyl)methylcarbamoyl]-1-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-[(4-fluorophenyl)methylcarbamoyl]-1-methylpyrazole-3-carboxylic acid is Cn1nc(C(=O)O)cc1C(=O)NCc1ccc(F)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)methylcarbamoyl]-1-methylpyrazole-3-carboxylic acid?
The InChIKey is MNJBJVNQILFSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O3/c1-17-11(6-10(16-17)13(19)20)12(18)15-7-8-2-4-9(14)5-3-8/h2-6H,7H2,1H3,(H,15,18)(H,19,20).
What are the key properties of 5-[(4-fluorophenyl)methylcarbamoyl]-1-methylpyrazole-3-carboxylic acid?
5-[(4-fluorophenyl)methylcarbamoyl]-1-methylpyrazole-3-carboxylic acid has a molecular weight of 277.26 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methylcarbamoyl]-1-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 4777142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).