3-(2-chlorophenyl)-4-[(3-methoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid

C18H14ClN3O4 — CID 142699253

IUPAC3-(2-chlorophenyl)-4-[(3-methoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid
SMILESCOc1cccc(C(=O)Nc2c(-c3ccccc3Cl)n[nH]c2C(=O)O)c1
InChIInChI=1S/C18H14ClN3O4/c1-26-11-6-4-5-10(9-11)17(23)20-15-14(21-22-16(15)18(24)25)12-7-2-3-8-13(12)19/h2-9H,1H3,(H,20,23)(H,21,22)(H,24,25)
InChIKeyOICUCBSMHOSEDZ-UHFFFAOYSA-N
MW371.78 g/mol
LogP3.69
Rot. Bonds5

About 3-(2-chlorophenyl)-4-[(3-methoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid

3-(2-chlorophenyl)-4-[(3-methoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid (PubChem CID 142699253) has the molecular formula C18H14ClN3O4 and a molecular weight of 371.78 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-4-[(3-methoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-chlorophenyl)-4-[(3-methoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid
PubChem CID142699253
Molecular FormulaC18H14ClN3O4
Molecular Weight371.78 g/mol
Exact Mass371.07
IUPAC Name3-(2-chlorophenyl)-4-[(3-methoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid
SMILESCOc1cccc(C(=O)Nc2c(-c3ccccc3Cl)n[nH]c2C(=O)O)c1
InChIInChI=1S/C18H14ClN3O4/c1-26-11-6-4-5-10(9-11)17(23)20-15-14(21-22-16(15)18(24)25)12-7-2-3-8-13(12)19/h2-9H,1H3,(H,20,23)(H,21,22)(H,24,25)
InChIKeyOICUCBSMHOSEDZ-UHFFFAOYSA-N
XLogP3.69
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.78
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-[(3-methoxybenzoyl)amino]benzoic acid
CID 107046812
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 7213251
N-[5-(furan-2-yl)-3-phenyl-1H-pyrazol-4-yl]-3-methoxybenzamide
CID 42687656
N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]benzamide
CID 42685754
3-methoxy-N-[5-(oxan-4-yl)-3-phenyl-1H-pyrazol-4-yl]benzamide
CID 42687643
3-chloro-N-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]benzamide
CID 42686831
4-bromo-3-(2-chlorophenyl)-1H-pyrazole-5-carboxylic acid
CID 50877116
3-chloro-N-[3-(3-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]benzamide
CID 42686982
3-methoxy-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302206
N-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methoxybenzamide
CID 17101554
3-methoxy-N-[5-methyl-3-(1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]benzamide
CID 22434337
N-(2-chloro-4-iodophenyl)-3-methoxybenzamide
CID 1371600

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-4-[(3-methoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(2-chlorophenyl)-4-[(3-methoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid (CID 142699253) is 3-(2-chlorophenyl)-4-[(3-methoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(2-chlorophenyl)-4-[(3-methoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(2-chlorophenyl)-4-[(3-methoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid is COc1cccc(C(=O)Nc2c(-c3ccccc3Cl)n[nH]c2C(=O)O)c1.
What is the InChIKey of 3-(2-chlorophenyl)-4-[(3-methoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid?
The InChIKey is OICUCBSMHOSEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O4/c1-26-11-6-4-5-10(9-11)17(23)20-15-14(21-22-16(15)18(24)25)12-7-2-3-8-13(12)19/h2-9H,1H3,(H,20,23)(H,21,22)(H,24,25).
What are the key properties of 3-(2-chlorophenyl)-4-[(3-methoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid?
3-(2-chlorophenyl)-4-[(3-methoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid has a molecular weight of 371.78 g/mol, XLogP of 3.69, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-4-[(3-methoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 142699253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).