benzamido 5-methyl-1-phenylpyrazole-3-carboxylate

C18H15N3O3 — CID 5019720

IUPACbenzamido 5-methyl-1-phenylpyrazole-3-carboxylate
SMILESCc1cc(C(=O)ONC(=O)c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C18H15N3O3/c1-13-12-16(19-21(13)15-10-6-3-7-11-15)18(23)24-20-17(22)14-8-4-2-5-9-14/h2-12H,1H3,(H,20,22)
InChIKeyBRQSDCIKCZXXJW-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.68
Rot. Bonds3

About benzamido 5-methyl-1-phenylpyrazole-3-carboxylate

benzamido 5-methyl-1-phenylpyrazole-3-carboxylate (PubChem CID 5019720) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is benzamido 5-methyl-1-phenylpyrazole-3-carboxylate.

Molecular Properties

Compound Namebenzamido 5-methyl-1-phenylpyrazole-3-carboxylate
PubChem CID5019720
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Namebenzamido 5-methyl-1-phenylpyrazole-3-carboxylate
SMILESCc1cc(C(=O)ONC(=O)c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C18H15N3O3/c1-13-12-16(19-21(13)15-10-6-3-7-11-15)18(23)24-20-17(22)14-8-4-2-5-9-14/h2-12H,1H3,(H,20,22)
InChIKeyBRQSDCIKCZXXJW-UHFFFAOYSA-N
XLogP2.68
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 5-methyl-1-phenylpyrazole-3-carboxylate
CID 10900438
5-methyl-1-phenylpyrazole-3-carboxamide
CID 68896199
5-methyl-1-phenylpyrazole-3-carboxylic acid
CID 698388
3-(3-ethoxycarbonyl-5-methylpyrazol-1-yl)benzoic acid
CID 135330912
5-methyl-N-(3-methyl-2-oxobutyl)-1-phenylpyrazole-3-carboxamide
CID 142965517
N-[2-[(4-chlorobenzoyl)amino]phenyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55881703
propyl 4-[(5-methyl-1-phenylpyrazole-3-carbonyl)amino]benzoate
CID 55755392
1-(4-methoxycarbonylphenyl)-5-methylpyrazole-3-carboxylic acid
CID 82361682
ethyl 5-(benzoylcarbamothioylamino)-1-phenylpyrazole-3-carboxylate
CID 59001357
N-(2-cyanophenyl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 71684163
ethyl 5-amino-1-phenylpyrazole-3-carboxylate
CID 23630921
benzamido acetate;ethane
CID 91379738

Frequently Asked Questions

What is the IUPAC name of benzamido 5-methyl-1-phenylpyrazole-3-carboxylate?
The IUPAC name of benzamido 5-methyl-1-phenylpyrazole-3-carboxylate (CID 5019720) is benzamido 5-methyl-1-phenylpyrazole-3-carboxylate.
What is the SMILES notation for benzamido 5-methyl-1-phenylpyrazole-3-carboxylate?
The canonical SMILES for benzamido 5-methyl-1-phenylpyrazole-3-carboxylate is Cc1cc(C(=O)ONC(=O)c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of benzamido 5-methyl-1-phenylpyrazole-3-carboxylate?
The InChIKey is BRQSDCIKCZXXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-13-12-16(19-21(13)15-10-6-3-7-11-15)18(23)24-20-17(22)14-8-4-2-5-9-14/h2-12H,1H3,(H,20,22).
What are the key properties of benzamido 5-methyl-1-phenylpyrazole-3-carboxylate?
benzamido 5-methyl-1-phenylpyrazole-3-carboxylate has a molecular weight of 321.34 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzamido 5-methyl-1-phenylpyrazole-3-carboxylate is sourced from PubChem (CID 5019720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).