N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide

C24H27N5O3 — CID 56544190

IUPACN-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)CNC(=O)C1=NN(c2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C24H27N5O3/c1-25-24(32)20-13-8-14-28(20)22(30)16-26-23(31)19-15-21(17-9-4-2-5-10-17)29(27-19)18-11-6-3-7-12-18/h2-7,9-12,20-21H,8,13-16H2,1H3,(H,25,32)(H,26,31)
InChIKeyNBOCXJAVQCBJEX-UHFFFAOYSA-N
MW433.51 g/mol
LogP1.85
Rot. Bonds6

About N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide

N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide (PubChem CID 56544190) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
PubChem CID56544190
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC NameN-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)CNC(=O)C1=NN(c2ccccc2)C(c2ccccc2)C1
InChIInChI=1S/C24H27N5O3/c1-25-24(32)20-13-8-14-28(20)22(30)16-26-23(31)19-15-21(17-9-4-2-5-10-17)29(27-19)18-11-6-3-7-12-18/h2-7,9-12,20-21H,8,13-16H2,1H3,(H,25,32)(H,26,31)
InChIKeyNBOCXJAVQCBJEX-UHFFFAOYSA-N
XLogP1.85
TPSA94.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide with MolForge

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Related Compounds

methyl 4-[[2-[(2S)-2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]carbamoyl]benzoate
CID 95273963
3,5-dimethyl-N-[2-oxo-2-[(2R)-2-phenylpyrrolidin-1-yl]ethyl]benzamide
CID 41264652
N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 56544293
1-(2,3-diphenyl-3,4-dihydropyrazole-5-carbonyl)piperidine-2-carboxamide
CID 112814319
N-methyl-1-[2-[[2-(9-oxoacridin-10-yl)acetyl]amino]acetyl]pyrrolidine-2-carboxamide
CID 56533854
(2S)-1-(2-acetamidoacetyl)-N-methylpyrrolidine-2-carboxamide
CID 71346691
1-benzyl-N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]indole-2-carboxamide
CID 56544766
(3R)-N-methoxy-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
CID 38013267
(3S)-N-ethoxy-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
CID 36628252
1-N-benzyl-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 47085421
(3R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
CID 97008607
methyl 5-[(2,3-diphenyl-3,4-dihydropyrazole-5-carbonyl)amino]pentanoate
CID 60590935

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide (CID 56544190) is N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide is CNC(=O)C1CCCN1C(=O)CNC(=O)C1=NN(c2ccccc2)C(c2ccccc2)C1.
What is the InChIKey of N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is NBOCXJAVQCBJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-25-24(32)20-13-8-14-28(20)22(30)16-26-23(31)19-15-21(17-9-4-2-5-10-17)29(27-19)18-11-6-3-7-12-18/h2-7,9-12,20-21H,8,13-16H2,1H3,(H,25,32)(H,26,31).
What are the key properties of N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide?
N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 56544190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).