1-[(4-fluorophenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazole-3-carboxylic acid

C19H16FN3O3 — CID 154636989

IUPAC1-[(4-fluorophenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazole-3-carboxylic acid
SMILESCc1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C19H16FN3O3/c1-12-2-6-14(7-3-12)18(24)21-17-10-16(19(25)26)22-23(17)11-13-4-8-15(20)9-5-13/h2-10H,11H2,1H3,(H,21,24)(H,25,26)
InChIKeyJRGVZAVHAKWMKI-UHFFFAOYSA-N
MW353.35 g/mol
LogP3.33
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazole-3-carboxylic acid

1-[(4-fluorophenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazole-3-carboxylic acid (PubChem CID 154636989) has the molecular formula C19H16FN3O3 and a molecular weight of 353.35 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazole-3-carboxylic acid
PubChem CID154636989
Molecular FormulaC19H16FN3O3
Molecular Weight353.35 g/mol
Exact Mass353.12
IUPAC Name1-[(4-fluorophenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazole-3-carboxylic acid
SMILESCc1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C19H16FN3O3/c1-12-2-6-14(7-3-12)18(24)21-17-10-16(19(25)26)22-23(17)11-13-4-8-15(20)9-5-13/h2-10H,11H2,1H3,(H,21,24)(H,25,26)
InChIKeyJRGVZAVHAKWMKI-UHFFFAOYSA-N
XLogP3.33
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-[(4-methylbenzoyl)amino]-1-[(4-methylphenyl)methyl]pyrazole-3-carboxylate
CID 175125228
5-[(4-methylbenzoyl)amino]-1-[[4-[3-(oxan-4-yl)propanoyl]phenyl]methyl]pyrazole-3-carboxylic acid
CID 172811869
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide
CID 19285133
1-[(4-methylphenyl)methyl]-5-propan-2-ylpyrazole-3-carboxylic acid
CID 82300416
N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-methylsulfanylbenzamide
CID 112797938
5-cyclopropyl-1-[(4-fluorophenyl)methyl]pyrazole-3-carboxylic acid
CID 82301432
4-fluoro-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]benzamide
CID 46087927
N-[2-[[5-chloro-2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]phenyl]-4-fluorobenzamide
CID 46334380
ethyl 5-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]pyrazole-3-carboxylate
CID 91872783
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-fluorobenzamide
CID 17088813
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-methoxybenzamide
CID 19409659
4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N-(4-methylphenyl)benzamide
CID 42850972

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazole-3-carboxylic acid?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazole-3-carboxylic acid (CID 154636989) is 1-[(4-fluorophenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazole-3-carboxylic acid is Cc1ccc(C(=O)Nc2cc(C(=O)O)nn2Cc2ccc(F)cc2)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazole-3-carboxylic acid?
The InChIKey is JRGVZAVHAKWMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3/c1-12-2-6-14(7-3-12)18(24)21-17-10-16(19(25)26)22-23(17)11-13-4-8-15(20)9-5-13/h2-10H,11H2,1H3,(H,21,24)(H,25,26).
What are the key properties of 1-[(4-fluorophenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazole-3-carboxylic acid?
1-[(4-fluorophenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazole-3-carboxylic acid has a molecular weight of 353.35 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazole-3-carboxylic acid is sourced from PubChem (CID 154636989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).