2-[1-[(4-fluorophenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazol-3-yl]acetic acid

C20H18FN3O3 — CID 154636992

IUPAC2-[1-[(4-fluorophenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazol-3-yl]acetic acid
SMILESCc1ccc(C(=O)Nc2cc(CC(=O)O)nn2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C20H18FN3O3/c1-13-2-6-15(7-3-13)20(27)22-18-10-17(11-19(25)26)23-24(18)12-14-4-8-16(21)9-5-14/h2-10H,11-12H2,1H3,(H,22,27)(H,25,26)
InChIKeySUHWHZGAQVZOCE-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.26
Rot. Bonds6

About 2-[1-[(4-fluorophenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazol-3-yl]acetic acid

2-[1-[(4-fluorophenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazol-3-yl]acetic acid (PubChem CID 154636992) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazol-3-yl]acetic acid
PubChem CID154636992
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC Name2-[1-[(4-fluorophenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazol-3-yl]acetic acid
SMILESCc1ccc(C(=O)Nc2cc(CC(=O)O)nn2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C20H18FN3O3/c1-13-2-6-15(7-3-13)20(27)22-18-10-17(11-19(25)26)23-24(18)12-14-4-8-16(21)9-5-14/h2-10H,11-12H2,1H3,(H,22,27)(H,25,26)
InChIKeySUHWHZGAQVZOCE-UHFFFAOYSA-N
XLogP3.26
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methyl-3-phenylpyrazol-5-yl)benzamide
CID 2814962
3-fluoro-N-[3-methyl-1-(3-methylbenzyl)-1H-pyrazol-5-yl]benzamide
CID 1510958
3-fluoro-N-[1-(4-fluorobenzyl)-3-methyl-1H-pyrazol-5-yl]benzamide
CID 1510447
N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methylbenzamide
CID 2320453
5-[(1-methyl-3-phenyl-1H-pyrazol-5-yl)amino]-5-oxopentanoic acid
CID 2815262
1-[(4-Fluorophenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazole-3-carboxylic acid
CID 154636989
5-[(4-Methylbenzoyl)amino]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxylic acid
CID 154636998
1-Benzyl-5-[(4-methylbenzoyl)amino]pyrazole-3-carboxylic acid
CID 168271053
1-[(3,5-Dimethylphenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazole-3-carboxylic acid
CID 168274334
1-[(3,4-Difluorophenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazole-3-carboxylic acid
CID 168276085
1-[(2-Fluorophenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazole-3-carboxylic acid
CID 168276760
1-[(4-Acetylphenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazole-3-carboxylic acid
CID 168278286

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazol-3-yl]acetic acid?
The IUPAC name of 2-[1-[(4-fluorophenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazol-3-yl]acetic acid (CID 154636992) is 2-[1-[(4-fluorophenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazol-3-yl]acetic acid?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazol-3-yl]acetic acid is Cc1ccc(C(=O)Nc2cc(CC(=O)O)nn2Cc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazol-3-yl]acetic acid?
The InChIKey is SUHWHZGAQVZOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c1-13-2-6-15(7-3-13)20(27)22-18-10-17(11-19(25)26)23-24(18)12-14-4-8-16(21)9-5-14/h2-10H,11-12H2,1H3,(H,22,27)(H,25,26).
What are the key properties of 2-[1-[(4-fluorophenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazol-3-yl]acetic acid?
2-[1-[(4-fluorophenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazol-3-yl]acetic acid has a molecular weight of 367.38 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluorophenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazol-3-yl]acetic acid is sourced from PubChem (CID 154636992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).