2-[(2,5-dimethylpyrazol-3-yl)carbamoyl]benzoate

C13H12N3O3- — CID 6930153

IUPAC2-[(2,5-dimethylpyrazol-3-yl)carbamoyl]benzoate
SMILESCc1cc(NC(=O)c2ccccc2C(=O)[O-])n(C)n1
InChIInChI=1S/C13H13N3O3/c1-8-7-11(16(2)15-8)14-12(17)9-5-3-4-6-10(9)13(18)19/h3-7H,1-2H3,(H,14,17)(H,18,19)/p-1
InChIKeyRVFJBMYEYFPCTH-UHFFFAOYSA-M
MW258.26 g/mol
LogP0.34
Rot. Bonds3

About 2-[(2,5-dimethylpyrazol-3-yl)carbamoyl]benzoate

2-[(2,5-dimethylpyrazol-3-yl)carbamoyl]benzoate (PubChem CID 6930153) has the molecular formula C13H12N3O3- and a molecular weight of 258.26 g/mol. Its IUPAC name is 2-[(2,5-dimethylpyrazol-3-yl)carbamoyl]benzoate.

Molecular Properties

Compound Name2-[(2,5-dimethylpyrazol-3-yl)carbamoyl]benzoate
PubChem CID6930153
Molecular FormulaC13H12N3O3-
Molecular Weight258.26 g/mol
Exact Mass258.09
IUPAC Name2-[(2,5-dimethylpyrazol-3-yl)carbamoyl]benzoate
SMILESCc1cc(NC(=O)c2ccccc2C(=O)[O-])n(C)n1
InChIInChI=1S/C13H13N3O3/c1-8-7-11(16(2)15-8)14-12(17)9-5-3-4-6-10(9)13(18)19/h3-7H,1-2H3,(H,14,17)(H,18,19)/p-1
InChIKeyRVFJBMYEYFPCTH-UHFFFAOYSA-M
XLogP0.34
TPSA87.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 3741602
N-(2,5-dimethylpyrazol-3-yl)-2,3-dihydroxybenzamide
CID 114343847
N-(2,5-dimethylpyrazol-3-yl)-2,3-difluorobenzamide
CID 62650484
3-amino-N-(2,5-dimethylpyrazol-3-yl)naphthalene-2-carboxamide
CID 61209522
3-N,4-N-bis(2,5-dimethylpyrazol-3-yl)-1-methylpyrazole-3,4-dicarboxamide
CID 29097892
N-(2,5-dimethylpyrazol-3-yl)-2,3-dimethoxybenzamide
CID 35291192
2,5-dichloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 45284555
2-bromo-N-(2,5-dimethylpyrazol-3-yl)-5-methylbenzamide
CID 80974367
N-(2,5-dimethylpyrazol-3-yl)-5-methyl-2-(methylamino)benzamide
CID 55083084
N-(2,5-dimethylpyrazol-3-yl)-2-phenylquinoline-4-carboxamide
CID 51307625
N-(2,5-dimethylpyrazol-3-yl)-1H-pyrrole-2-carboxamide
CID 110470794
N-(2,5-dimethylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557935

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylpyrazol-3-yl)carbamoyl]benzoate?
The IUPAC name of 2-[(2,5-dimethylpyrazol-3-yl)carbamoyl]benzoate (CID 6930153) is 2-[(2,5-dimethylpyrazol-3-yl)carbamoyl]benzoate.
What is the SMILES notation for 2-[(2,5-dimethylpyrazol-3-yl)carbamoyl]benzoate?
The canonical SMILES for 2-[(2,5-dimethylpyrazol-3-yl)carbamoyl]benzoate is Cc1cc(NC(=O)c2ccccc2C(=O)[O-])n(C)n1.
What is the InChIKey of 2-[(2,5-dimethylpyrazol-3-yl)carbamoyl]benzoate?
The InChIKey is RVFJBMYEYFPCTH-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H13N3O3/c1-8-7-11(16(2)15-8)14-12(17)9-5-3-4-6-10(9)13(18)19/h3-7H,1-2H3,(H,14,17)(H,18,19)/p-1.
What are the key properties of 2-[(2,5-dimethylpyrazol-3-yl)carbamoyl]benzoate?
2-[(2,5-dimethylpyrazol-3-yl)carbamoyl]benzoate has a molecular weight of 258.26 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylpyrazol-3-yl)carbamoyl]benzoate is sourced from PubChem (CID 6930153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).