(3S)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide

C22H26N4O2 — CID 25472948

IUPAC(3S)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
SMILESCCCNC(=O)[C@@H](C)NC(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1
InChIInChI=1S/C22H26N4O2/c1-3-14-23-21(27)16(2)24-22(28)19-15-20(17-10-6-4-7-11-17)26(25-19)18-12-8-5-9-13-18/h4-13,16,20H,3,14-15H2,1-2H3,(H,23,27)(H,24,28)/t16-,20+/m1/s1
InChIKeyKFPCSTWMCICJET-UZLBHIALSA-N
MW378.48 g/mol
LogP3.02
Rot. Bonds7

About (3S)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide

(3S)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide (PubChem CID 25472948) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is (3S)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
PubChem CID25472948
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name(3S)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
SMILESCCCNC(=O)[C@@H](C)NC(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1
InChIInChI=1S/C22H26N4O2/c1-3-14-23-21(27)16(2)24-22(28)19-15-20(17-10-6-4-7-11-17)26(25-19)18-12-8-5-9-13-18/h4-13,16,20H,3,14-15H2,1-2H3,(H,23,27)(H,24,28)/t16-,20+/m1/s1
InChIKeyKFPCSTWMCICJET-UZLBHIALSA-N
XLogP3.02
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide with MolForge

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Related Compounds

(3S)-N-ethoxy-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
CID 36628252
N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
CID 51129173
methyl 5-[(2,3-diphenyl-3,4-dihydropyrazole-5-carbonyl)amino]pentanoate
CID 60590935
(3R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
CID 97008607
methyl 2-[(2,3-diphenyl-3,4-dihydropyrazole-5-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 56580467
(3S)-N-(1-methylpyrazol-3-yl)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
CID 36625724
N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
CID 56543801
[1-(carbamoylamino)-1-oxopropan-2-yl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate
CID 55560895
2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]benzoic acid
CID 60941467
4-oxo-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-3-phenylphthalazine-1-carboxamide
CID 8733517
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
CID 46671615
N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-1,3-diphenylpyrazole-4-carboxamide
CID 9227685

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of (3S)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide (CID 25472948) is (3S)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for (3S)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for (3S)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide is CCCNC(=O)[C@@H](C)NC(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1.
What is the InChIKey of (3S)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is KFPCSTWMCICJET-UZLBHIALSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-3-14-23-21(27)16(2)24-22(28)19-15-20(17-10-6-4-7-11-17)26(25-19)18-12-8-5-9-13-18/h4-13,16,20H,3,14-15H2,1-2H3,(H,23,27)(H,24,28)/t16-,20+/m1/s1.
What are the key properties of (3S)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide?
(3S)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 25472948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).