5-[[3-[(2-chlorobenzoyl)amino]phenyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid

C19H15ClN4O4 — CID 44823916

IUPAC5-[[3-[(2-chlorobenzoyl)amino]phenyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
SMILESCn1ncc(C(=O)O)c1C(=O)Nc1cccc(NC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C19H15ClN4O4/c1-24-16(14(10-21-24)19(27)28)18(26)23-12-6-4-5-11(9-12)22-17(25)13-7-2-3-8-15(13)20/h2-10H,1H3,(H,22,25)(H,23,26)(H,27,28)
InChIKeyOFWHWJLCOAOEDR-UHFFFAOYSA-N
MW398.81 g/mol
LogP3.28
Rot. Bonds5

About 5-[[3-[(2-chlorobenzoyl)amino]phenyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid

5-[[3-[(2-chlorobenzoyl)amino]phenyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid (PubChem CID 44823916) has the molecular formula C19H15ClN4O4 and a molecular weight of 398.81 g/mol. Its IUPAC name is 5-[[3-[(2-chlorobenzoyl)amino]phenyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[[3-[(2-chlorobenzoyl)amino]phenyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
PubChem CID44823916
Molecular FormulaC19H15ClN4O4
Molecular Weight398.81 g/mol
Exact Mass398.08
IUPAC Name5-[[3-[(2-chlorobenzoyl)amino]phenyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
SMILESCn1ncc(C(=O)O)c1C(=O)Nc1cccc(NC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C19H15ClN4O4/c1-24-16(14(10-21-24)19(27)28)18(26)23-12-6-4-5-11(9-12)22-17(25)13-7-2-3-8-15(13)20/h2-10H,1H3,(H,22,25)(H,23,26)(H,27,28)
InChIKeyOFWHWJLCOAOEDR-UHFFFAOYSA-N
XLogP3.28
TPSA113.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.81
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-methoxyphenyl)carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19623911
N-(3-acetamidophenyl)-2-chlorobenzamide
CID 792012
5-[(3-chloro-4-morpholin-4-ylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 29095959
4-chloro-N-(3-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 6467156
2-chloro-4-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzoic acid
CID 61398585
5-[(3,5-dimethoxyphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 29095721
3-[(2-chlorobenzoyl)amino]benzoic acid;hydrochloride
CID 67246588
5-[(2-chlorobenzoyl)amino]-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 3109213
5-[[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19494122
N-[3-(butanoylamino)phenyl]-2-chlorobenzamide
CID 17187534
1-methyl-5-[(4-methyl-3-nitrophenyl)carbamoyl]pyrazole-4-carboxylic acid
CID 29095731
1,5-dimethyl-N-phenylpyrazole-4-carboxamide
CID 13031735

Frequently Asked Questions

What is the IUPAC name of 5-[[3-[(2-chlorobenzoyl)amino]phenyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 5-[[3-[(2-chlorobenzoyl)amino]phenyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid (CID 44823916) is 5-[[3-[(2-chlorobenzoyl)amino]phenyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[[3-[(2-chlorobenzoyl)amino]phenyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-[[3-[(2-chlorobenzoyl)amino]phenyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid is Cn1ncc(C(=O)O)c1C(=O)Nc1cccc(NC(=O)c2ccccc2Cl)c1.
What is the InChIKey of 5-[[3-[(2-chlorobenzoyl)amino]phenyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The InChIKey is OFWHWJLCOAOEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O4/c1-24-16(14(10-21-24)19(27)28)18(26)23-12-6-4-5-11(9-12)22-17(25)13-7-2-3-8-15(13)20/h2-10H,1H3,(H,22,25)(H,23,26)(H,27,28).
What are the key properties of 5-[[3-[(2-chlorobenzoyl)amino]phenyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid?
5-[[3-[(2-chlorobenzoyl)amino]phenyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid has a molecular weight of 398.81 g/mol, XLogP of 3.28, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[(2-chlorobenzoyl)amino]phenyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 44823916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).