(2R)-N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]oxolane-2-carboxamide

C23H24N4O4 — CID 9466733

IUPAC(2R)-N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]oxolane-2-carboxamide
SMILESCc1c(NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C23H24N4O4/c1-15-20(23(30)27(26(15)2)18-10-4-3-5-11-18)25-21(28)16-8-6-9-17(14-16)24-22(29)19-12-7-13-31-19/h3-6,8-11,14,19H,7,12-13H2,1-2H3,(H,24,29)(H,25,28)/t19-/m1/s1
InChIKeyMGBDYTZQRWABOC-LJQANCHMSA-N
MW420.47 g/mol
LogP2.85
Rot. Bonds5

About (2R)-N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]oxolane-2-carboxamide

(2R)-N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]oxolane-2-carboxamide (PubChem CID 9466733) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is (2R)-N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]oxolane-2-carboxamide
PubChem CID9466733
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name(2R)-N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]oxolane-2-carboxamide
SMILESCc1c(NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C23H24N4O4/c1-15-20(23(30)27(26(15)2)18-10-4-3-5-11-18)25-21(28)16-8-6-9-17(14-16)24-22(29)19-12-7-13-31-19/h3-6,8-11,14,19H,7,12-13H2,1-2H3,(H,24,29)(H,25,28)/t19-/m1/s1
InChIKeyMGBDYTZQRWABOC-LJQANCHMSA-N
XLogP2.85
TPSA94.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]oxolane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(cyclopropanecarbonyl)-N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]pyrrolidine-2-carboxamide
CID 55631175
N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]-3-fluoro-4-methylbenzamide
CID 46615919
4-(4-bromo-2-chlorophenyl)-N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]piperidine-1-carboxamide
CID 166345614
N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]-1,3-benzodioxole-4-carboxamide
CID 55974288
3-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 789711
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[[2-[(3S)-1,1-dioxothiolan-3-yl]acetyl]amino]benzamide
CID 41324581
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzamide
CID 55334875
3-[(2-chlorophenyl)carbamothioylamino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 4858127
N-[3-[(2-ethyl-6-methylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 46634844
N-[3-[(3-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 42943923
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(4-ethylphenyl)carbamothioylamino]benzamide
CID 23737667
3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]oxolane-2-carboxamide (CID 9466733) is (2R)-N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]oxolane-2-carboxamide is Cc1c(NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of (2R)-N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]oxolane-2-carboxamide?
The InChIKey is MGBDYTZQRWABOC-LJQANCHMSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-15-20(23(30)27(26(15)2)18-10-4-3-5-11-18)25-21(28)16-8-6-9-17(14-16)24-22(29)19-12-7-13-31-19/h3-6,8-11,14,19H,7,12-13H2,1-2H3,(H,24,29)(H,25,28)/t19-/m1/s1.
What are the key properties of (2R)-N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]oxolane-2-carboxamide?
(2R)-N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]oxolane-2-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 9466733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).