(3S)-2-phenyl-5-[(2R)-2-phenylpyrrolidine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide

C21H22N4O2 — CID 51934177

IUPAC(3S)-2-phenyl-5-[(2R)-2-phenylpyrrolidine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide
SMILESNC(=O)[C@@H]1CC(C(=O)N2CCC[C@@H]2c2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C21H22N4O2/c22-20(26)19-14-17(23-25(19)16-10-5-2-6-11-16)21(27)24-13-7-12-18(24)15-8-3-1-4-9-15/h1-6,8-11,18-19H,7,12-14H2,(H2,22,26)/t18-,19+/m1/s1
InChIKeyYLQDGFQJHJGWAE-MOPGFXCFSA-N
MW362.43 g/mol
LogP2.47
Rot. Bonds4

About (3S)-2-phenyl-5-[(2R)-2-phenylpyrrolidine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide

(3S)-2-phenyl-5-[(2R)-2-phenylpyrrolidine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide (PubChem CID 51934177) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is (3S)-2-phenyl-5-[(2R)-2-phenylpyrrolidine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide.

Molecular Properties

Compound Name(3S)-2-phenyl-5-[(2R)-2-phenylpyrrolidine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide
PubChem CID51934177
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name(3S)-2-phenyl-5-[(2R)-2-phenylpyrrolidine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide
SMILESNC(=O)[C@@H]1CC(C(=O)N2CCC[C@@H]2c2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C21H22N4O2/c22-20(26)19-14-17(23-25(19)16-10-5-2-6-11-16)21(27)24-13-7-12-18(24)15-8-3-1-4-9-15/h1-6,8-11,18-19H,7,12-14H2,(H2,22,26)/t18-,19+/m1/s1
InChIKeyYLQDGFQJHJGWAE-MOPGFXCFSA-N
XLogP2.47
TPSA79.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-diphenyl-3,4-dihydropyrazole-5-carbonyl)piperidine-2-carboxamide
CID 112814319
(3R)-2-phenyl-5-[(2S)-2-(1,3-thiazol-2-ylcarbamoyl)pyrrolidine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide
CID 51942518
(3S)-5-(morpholine-4-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide
CID 36619986
(3R)-5-[(2S)-2-(dimethylcarbamoyl)pyrrolidine-1-carbonyl]-2-(4-fluorophenyl)-3,4-dihydropyrazole-3-carboxamide
CID 97185167
cycloheptyl 3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 91641460
cyclohexyl 3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 55561698
methyl (3S)-3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 95597362
5-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide
CID 55560255
(3S)-5-(3,4-dihydro-2H-1,5-naphthyridine-1-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide
CID 95290092
5-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide
CID 55632538
5-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]-2-phenyl-3,4-dihydropyrazole-3-carboxamide
CID 112836577
(3S)-5-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide
CID 96998888

Frequently Asked Questions

What is the IUPAC name of (3S)-2-phenyl-5-[(2R)-2-phenylpyrrolidine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide?
The IUPAC name of (3S)-2-phenyl-5-[(2R)-2-phenylpyrrolidine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide (CID 51934177) is (3S)-2-phenyl-5-[(2R)-2-phenylpyrrolidine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide.
What is the SMILES notation for (3S)-2-phenyl-5-[(2R)-2-phenylpyrrolidine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide?
The canonical SMILES for (3S)-2-phenyl-5-[(2R)-2-phenylpyrrolidine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide is NC(=O)[C@@H]1CC(C(=O)N2CCC[C@@H]2c2ccccc2)=NN1c1ccccc1.
What is the InChIKey of (3S)-2-phenyl-5-[(2R)-2-phenylpyrrolidine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide?
The InChIKey is YLQDGFQJHJGWAE-MOPGFXCFSA-N. The full InChI is InChI=1S/C21H22N4O2/c22-20(26)19-14-17(23-25(19)16-10-5-2-6-11-16)21(27)24-13-7-12-18(24)15-8-3-1-4-9-15/h1-6,8-11,18-19H,7,12-14H2,(H2,22,26)/t18-,19+/m1/s1.
What are the key properties of (3S)-2-phenyl-5-[(2R)-2-phenylpyrrolidine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide?
(3S)-2-phenyl-5-[(2R)-2-phenylpyrrolidine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-phenyl-5-[(2R)-2-phenylpyrrolidine-1-carbonyl]-3,4-dihydropyrazole-3-carboxamide is sourced from PubChem (CID 51934177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).