3-acetyl-N-(2-carbamoylphenyl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide

C19H18N4O3 — CID 60620525

IUPAC3-acetyl-N-(2-carbamoylphenyl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide
SMILESCC(=O)C1CC(C(=O)Nc2ccccc2C(N)=O)=NN1c1ccccc1
InChIInChI=1S/C19H18N4O3/c1-12(24)17-11-16(22-23(17)13-7-3-2-4-8-13)19(26)21-15-10-6-5-9-14(15)18(20)25/h2-10,17H,11H2,1H3,(H2,20,25)(H,21,26)
InChIKeyBLVJRSSJSUNOOQ-UHFFFAOYSA-N
MW350.38 g/mol
LogP1.95
Rot. Bonds5

About 3-acetyl-N-(2-carbamoylphenyl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide

3-acetyl-N-(2-carbamoylphenyl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide (PubChem CID 60620525) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 3-acetyl-N-(2-carbamoylphenyl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound Name3-acetyl-N-(2-carbamoylphenyl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide
PubChem CID60620525
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name3-acetyl-N-(2-carbamoylphenyl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide
SMILESCC(=O)C1CC(C(=O)Nc2ccccc2C(N)=O)=NN1c1ccccc1
InChIInChI=1S/C19H18N4O3/c1-12(24)17-11-16(22-23(17)13-7-3-2-4-8-13)19(26)21-15-10-6-5-9-14(15)18(20)25/h2-10,17H,11H2,1H3,(H2,20,25)(H,21,26)
InChIKeyBLVJRSSJSUNOOQ-UHFFFAOYSA-N
XLogP1.95
TPSA104.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-5-N-[2-(methylcarbamoyl)phenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 39999608
(3R)-3-acetyl-N-(2-ethylsulfonylphenyl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide
CID 52506504
(3R)-3-acetyl-N-(1,6-naphthyridin-4-yl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide
CID 95973922
(3R)-3-acetyl-2-phenyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-3,4-dihydropyrazole-5-carboxamide
CID 99716475
(3S)-5-N-(5-methyl-2-pyridinyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 36623710
3-acetyl-N-[(1-hydroxycycloheptyl)methyl]-2-phenyl-3,4-dihydropyrazole-5-carboxamide
CID 102557567
(3R)-3-acetyl-N-[4-(dimethylamino)-3-methylphenyl]-2-phenyl-3,4-dihydropyrazole-5-carboxamide
CID 52846836
(3R)-2-phenyl-5-N-(1H-pyrazol-5-yl)-3,4-dihydropyrazole-3,5-dicarboxamide
CID 95583461
(3S)-3-acetyl-N-[3-(1,3-dithiolan-2-yl)phenyl]-2-phenyl-3,4-dihydropyrazole-5-carboxamide
CID 99797551
methyl 3-[(3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carbonyl)amino]-4-pyrrolidin-1-ylbenzoate
CID 55571972
5-N-(2-ethylsulfonylphenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide
CID 55613122
5-N-(4-methylsulfonylphenyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 55561159

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-(2-carbamoylphenyl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of 3-acetyl-N-(2-carbamoylphenyl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide (CID 60620525) is 3-acetyl-N-(2-carbamoylphenyl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for 3-acetyl-N-(2-carbamoylphenyl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for 3-acetyl-N-(2-carbamoylphenyl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide is CC(=O)C1CC(C(=O)Nc2ccccc2C(N)=O)=NN1c1ccccc1.
What is the InChIKey of 3-acetyl-N-(2-carbamoylphenyl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is BLVJRSSJSUNOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-12(24)17-11-16(22-23(17)13-7-3-2-4-8-13)19(26)21-15-10-6-5-9-14(15)18(20)25/h2-10,17H,11H2,1H3,(H2,20,25)(H,21,26).
What are the key properties of 3-acetyl-N-(2-carbamoylphenyl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide?
3-acetyl-N-(2-carbamoylphenyl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-(2-carbamoylphenyl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 60620525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).