N-(3-methylphenyl)-5-oxo-1,4-dihydropyrazole-3-carboxamide

C11H11N3O2 — CID 110467708

IUPACN-(3-methylphenyl)-5-oxo-1,4-dihydropyrazole-3-carboxamide
SMILESCc1cccc(NC(=O)C2=NNC(=O)C2)c1
InChIInChI=1S/C11H11N3O2/c1-7-3-2-4-8(5-7)12-11(16)9-6-10(15)14-13-9/h2-5H,6H2,1H3,(H,12,16)(H,14,15)
InChIKeyUSCKCGICWPOQHP-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.81
Rot. Bonds2

About N-(3-methylphenyl)-5-oxo-1,4-dihydropyrazole-3-carboxamide

N-(3-methylphenyl)-5-oxo-1,4-dihydropyrazole-3-carboxamide (PubChem CID 110467708) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is N-(3-methylphenyl)-5-oxo-1,4-dihydropyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-5-oxo-1,4-dihydropyrazole-3-carboxamide
PubChem CID110467708
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC NameN-(3-methylphenyl)-5-oxo-1,4-dihydropyrazole-3-carboxamide
SMILESCc1cccc(NC(=O)C2=NNC(=O)C2)c1
InChIInChI=1S/C11H11N3O2/c1-7-3-2-4-8(5-7)12-11(16)9-6-10(15)14-13-9/h2-5H,6H2,1H3,(H,12,16)(H,14,15)
InChIKeyUSCKCGICWPOQHP-UHFFFAOYSA-N
XLogP0.81
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43397609
N-(3-bromo-4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60730194
2,5-dihydroxy-1-N,4-N-bis(3-methylphenyl)-3,6-dioxocyclohexa-1,4-diene-1,4-dicarboxamide
CID 98096567
N-(3-methylphenyl)acetamide
CID 10843
2,6-dihydroxy-N-(3-methylphenyl)benzamide
CID 103748871
6-oxo-N-(3-pyrrolidin-1-ylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60934157
N-(2-cyclopropylpyrimidin-5-yl)-5-oxo-1,4-dihydropyrazole-3-carboxamide
CID 167766294
1-[3-(4,4-dimethyl-6-oxo-1,5-dihydropyridazin-3-yl)phenyl]-3-(3-methylphenyl)urea
CID 59993026
6-oxo-N-(3-piperidin-1-ylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110667794
2-[(3-methylphenyl)carbamoyl]cyclohexene-1-carboxylic acid
CID 53270346
6-N-(3-methylphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109099953
2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265476

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-5-oxo-1,4-dihydropyrazole-3-carboxamide?
The IUPAC name of N-(3-methylphenyl)-5-oxo-1,4-dihydropyrazole-3-carboxamide (CID 110467708) is N-(3-methylphenyl)-5-oxo-1,4-dihydropyrazole-3-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-5-oxo-1,4-dihydropyrazole-3-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-5-oxo-1,4-dihydropyrazole-3-carboxamide is Cc1cccc(NC(=O)C2=NNC(=O)C2)c1.
What is the InChIKey of N-(3-methylphenyl)-5-oxo-1,4-dihydropyrazole-3-carboxamide?
The InChIKey is USCKCGICWPOQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-7-3-2-4-8(5-7)12-11(16)9-6-10(15)14-13-9/h2-5H,6H2,1H3,(H,12,16)(H,14,15).
What are the key properties of N-(3-methylphenyl)-5-oxo-1,4-dihydropyrazole-3-carboxamide?
N-(3-methylphenyl)-5-oxo-1,4-dihydropyrazole-3-carboxamide has a molecular weight of 217.23 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-5-oxo-1,4-dihydropyrazole-3-carboxamide is sourced from PubChem (CID 110467708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).