[1-(carbamoylamino)-1-oxopropan-2-yl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate

C20H20N4O4 — CID 55560895

IUPAC[1-(carbamoylamino)-1-oxopropan-2-yl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate
SMILESCC(OC(=O)C1=NN(c2ccccc2)C(c2ccccc2)C1)C(=O)NC(N)=O
InChIInChI=1S/C20H20N4O4/c1-13(18(25)22-20(21)27)28-19(26)16-12-17(14-8-4-2-5-9-14)24(23-16)15-10-6-3-7-11-15/h2-11,13,17H,12H2,1H3,(H3,21,22,25,27)
InChIKeyDRVZEGIJGJKQCF-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.12
Rot. Bonds5

About [1-(carbamoylamino)-1-oxopropan-2-yl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate

[1-(carbamoylamino)-1-oxopropan-2-yl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate (PubChem CID 55560895) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is [1-(carbamoylamino)-1-oxopropan-2-yl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate.

Molecular Properties

Compound Name[1-(carbamoylamino)-1-oxopropan-2-yl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate
PubChem CID55560895
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name[1-(carbamoylamino)-1-oxopropan-2-yl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate
SMILESCC(OC(=O)C1=NN(c2ccccc2)C(c2ccccc2)C1)C(=O)NC(N)=O
InChIInChI=1S/C20H20N4O4/c1-13(18(25)22-20(21)27)28-19(26)16-12-17(14-8-4-2-5-9-14)24(23-16)15-10-6-3-7-11-15/h2-11,13,17H,12H2,1H3,(H3,21,22,25,27)
InChIKeyDRVZEGIJGJKQCF-UHFFFAOYSA-N
XLogP2.12
TPSA114.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-(carbamoylamino)-1-oxopropan-2-yl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate with MolForge

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Related Compounds

[(2R)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] (3S)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate
CID 95296020
(3R)-N-methoxy-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
CID 38013267
[2-(methylcarbamoylamino)-2-oxoethyl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate
CID 55560806
(3S)-N-ethoxy-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
CID 36628252
cyclopentyl (3R)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate
CID 95761896
(3S)-3-phenyl-2-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-5-carboxylic acid
CID 95657133
sodium 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate
CID 24844262
(3S)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
CID 25472948
methyl (3S)-3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 95597362
[2-(2,3-dichloroanilino)-2-oxoethyl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate
CID 55561437
methyl 2-[(2,3-diphenyl-3,4-dihydropyrazole-5-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 56580467
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate
CID 55569344

Frequently Asked Questions

What is the IUPAC name of [1-(carbamoylamino)-1-oxopropan-2-yl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate?
The IUPAC name of [1-(carbamoylamino)-1-oxopropan-2-yl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate (CID 55560895) is [1-(carbamoylamino)-1-oxopropan-2-yl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate.
What is the SMILES notation for [1-(carbamoylamino)-1-oxopropan-2-yl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate?
The canonical SMILES for [1-(carbamoylamino)-1-oxopropan-2-yl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate is CC(OC(=O)C1=NN(c2ccccc2)C(c2ccccc2)C1)C(=O)NC(N)=O.
What is the InChIKey of [1-(carbamoylamino)-1-oxopropan-2-yl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate?
The InChIKey is DRVZEGIJGJKQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-13(18(25)22-20(21)27)28-19(26)16-12-17(14-8-4-2-5-9-14)24(23-16)15-10-6-3-7-11-15/h2-11,13,17H,12H2,1H3,(H3,21,22,25,27).
What are the key properties of [1-(carbamoylamino)-1-oxopropan-2-yl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate?
[1-(carbamoylamino)-1-oxopropan-2-yl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate has a molecular weight of 380.40 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(carbamoylamino)-1-oxopropan-2-yl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate is sourced from PubChem (CID 55560895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).