5-benzamido-1-methyl-3-phenylpyrazole-4-carboxylic acid

C18H15N3O3 — CID 59608695

IUPAC5-benzamido-1-methyl-3-phenylpyrazole-4-carboxylic acid
SMILESCn1nc(-c2ccccc2)c(C(=O)O)c1NC(=O)c1ccccc1
InChIInChI=1S/C18H15N3O3/c1-21-16(19-17(22)13-10-6-3-7-11-13)14(18(23)24)15(20-21)12-8-4-2-5-9-12/h2-11H,1H3,(H,19,22)(H,23,24)
InChIKeyXAQLJAZCLWUXQV-UHFFFAOYSA-N
MW321.34 g/mol
LogP3.04
Rot. Bonds4

About 5-benzamido-1-methyl-3-phenylpyrazole-4-carboxylic acid

5-benzamido-1-methyl-3-phenylpyrazole-4-carboxylic acid (PubChem CID 59608695) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is 5-benzamido-1-methyl-3-phenylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-benzamido-1-methyl-3-phenylpyrazole-4-carboxylic acid
PubChem CID59608695
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name5-benzamido-1-methyl-3-phenylpyrazole-4-carboxylic acid
SMILESCn1nc(-c2ccccc2)c(C(=O)O)c1NC(=O)c1ccccc1
InChIInChI=1S/C18H15N3O3/c1-21-16(19-17(22)13-10-6-3-7-11-13)14(18(23)24)15(20-21)12-8-4-2-5-9-12/h2-11H,1H3,(H,19,22)(H,23,24)
InChIKeyXAQLJAZCLWUXQV-UHFFFAOYSA-N
XLogP3.04
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[4-[(3-chloro-2-methylidenebut-3-enoyl)amino]phenyl]-1,4-dimethylpyrazol-5-yl]benzamide
CID 170413053
N-(4-iodo-1-methyl-3-phenylpyrazol-5-yl)acetamide
CID 86717324
5-chloro-N,1-dimethyl-3-phenylpyrazole-4-carboxamide
CID 3758412
N-[4-(4-bromophenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide
CID 2810235
3-(difluoromethyl)-N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-1-methylpyrazole-5-carboxamide
CID 134704073
1-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)ethanone
CID 2763519
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 981611
5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-diphenylpyrazole-4-carboxylic acid
CID 15288287
N-(2-benzamido-4-phenyl-1,3-thiazol-5-yl)benzamide
CID 46300054
S-[[[4-[1,4-dimethyl-5-[[4-(trifluoromethoxy)benzoyl]amino]pyrazol-3-yl]phenyl]-methylcarbamoyl]amino] benzenecarbothioate
CID 176898793
4-methyl-N-[3-(4-methylphenyl)-2,5-diphenylimidazol-4-yl]benzamide
CID 51699804
2-[2-(carbamoylamino)acetyl]-N-(1,4-dimethyl-3-phenylpyrazol-5-yl)-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 171680978

Frequently Asked Questions

What is the IUPAC name of 5-benzamido-1-methyl-3-phenylpyrazole-4-carboxylic acid?
The IUPAC name of 5-benzamido-1-methyl-3-phenylpyrazole-4-carboxylic acid (CID 59608695) is 5-benzamido-1-methyl-3-phenylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-benzamido-1-methyl-3-phenylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-benzamido-1-methyl-3-phenylpyrazole-4-carboxylic acid is Cn1nc(-c2ccccc2)c(C(=O)O)c1NC(=O)c1ccccc1.
What is the InChIKey of 5-benzamido-1-methyl-3-phenylpyrazole-4-carboxylic acid?
The InChIKey is XAQLJAZCLWUXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-21-16(19-17(22)13-10-6-3-7-11-13)14(18(23)24)15(20-21)12-8-4-2-5-9-12/h2-11H,1H3,(H,19,22)(H,23,24).
What are the key properties of 5-benzamido-1-methyl-3-phenylpyrazole-4-carboxylic acid?
5-benzamido-1-methyl-3-phenylpyrazole-4-carboxylic acid has a molecular weight of 321.34 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzamido-1-methyl-3-phenylpyrazole-4-carboxylic acid is sourced from PubChem (CID 59608695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).