2,5-dimethyl-N-(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)benzamide

C18H17N3O2 — CID 146125184

IUPAC2,5-dimethyl-N-(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)benzamide
SMILESCc1ccc(C)c(C(=O)Nc2c(-c3ccccc3)[nH][nH]c2=O)c1
InChIInChI=1S/C18H17N3O2/c1-11-8-9-12(2)14(10-11)17(22)19-16-15(20-21-18(16)23)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,19,22)(H2,20,21,23)
InChIKeyDMSPNBLRQRNKSS-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.24
Rot. Bonds3

About 2,5-dimethyl-N-(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)benzamide

2,5-dimethyl-N-(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)benzamide (PubChem CID 146125184) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2,5-dimethyl-N-(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)benzamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)benzamide
PubChem CID146125184
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name2,5-dimethyl-N-(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)benzamide
SMILESCc1ccc(C)c(C(=O)Nc2c(-c3ccccc3)[nH][nH]c2=O)c1
InChIInChI=1S/C18H17N3O2/c1-11-8-9-12(2)14(10-11)17(22)19-16-15(20-21-18(16)23)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,19,22)(H2,20,21,23)
InChIKeyDMSPNBLRQRNKSS-UHFFFAOYSA-N
XLogP3.24
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 66497845
2,5-dimethyl-N-(2-methylphenyl)benzamide
CID 925354
N-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)-2,5-dimethylbenzamide
CID 122303609
2,5-dimethyl-N-(3-methylphenyl)benzamide
CID 925357
N-(2-chlorophenyl)-2,5-dimethylbenzamide
CID 925340
5-[(2,5-dimethylbenzoyl)amino]-2-methylbenzoic acid
CID 63653663
5-methyl-2-[(2-methylbenzoyl)amino]benzoic acid
CID 21232994
2,5-dimethyl-N-[4-(1-phenylethylamino)phenyl]benzamide
CID 55986155
N-(1H-benzimidazol-2-yl)-2,5-dimethylbenzamide
CID 2082902
2,5-dimethyl-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302232
N-[3-[4-(hydroxycarbamoyl)phenyl]phenyl]-2,5-dimethylbenzamide
CID 87915967
N-(4-bromo-3,5-dimethylphenyl)-2,5-dimethylbenzamide
CID 107574857

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)benzamide?
The IUPAC name of 2,5-dimethyl-N-(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)benzamide (CID 146125184) is 2,5-dimethyl-N-(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)benzamide.
What is the SMILES notation for 2,5-dimethyl-N-(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)benzamide?
The canonical SMILES for 2,5-dimethyl-N-(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)benzamide is Cc1ccc(C)c(C(=O)Nc2c(-c3ccccc3)[nH][nH]c2=O)c1.
What is the InChIKey of 2,5-dimethyl-N-(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)benzamide?
The InChIKey is DMSPNBLRQRNKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-11-8-9-12(2)14(10-11)17(22)19-16-15(20-21-18(16)23)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,19,22)(H2,20,21,23).
What are the key properties of 2,5-dimethyl-N-(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)benzamide?
2,5-dimethyl-N-(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)benzamide has a molecular weight of 307.35 g/mol, XLogP of 3.24, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)benzamide is sourced from PubChem (CID 146125184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).