(3S)-5-N-(2-phenoxyethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide

C19H20N4O3 — CID 32935230

IUPAC(3S)-5-N-(2-phenoxyethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESNC(=O)[C@@H]1CC(C(=O)NCCOc2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C19H20N4O3/c20-18(24)17-13-16(22-23(17)14-7-3-1-4-8-14)19(25)21-11-12-26-15-9-5-2-6-10-15/h1-10,17H,11-13H2,(H2,20,24)(H,21,25)/t17-/m0/s1
InChIKeyHJTWFKZWGDAGKU-KRWDZBQOSA-N
MW352.39 g/mol
LogP1.30
Rot. Bonds7

About (3S)-5-N-(2-phenoxyethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide

(3S)-5-N-(2-phenoxyethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide (PubChem CID 32935230) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is (3S)-5-N-(2-phenoxyethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name(3S)-5-N-(2-phenoxyethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
PubChem CID32935230
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name(3S)-5-N-(2-phenoxyethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESNC(=O)[C@@H]1CC(C(=O)NCCOc2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C19H20N4O3/c20-18(24)17-13-16(22-23(17)14-7-3-1-4-8-14)19(25)21-11-12-26-15-9-5-2-6-10-15/h1-10,17H,11-13H2,(H2,20,24)(H,21,25)/t17-/m0/s1
InChIKeyHJTWFKZWGDAGKU-KRWDZBQOSA-N
XLogP1.30
TPSA97.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)-5-N-[2-(4-methylphenoxy)ethyl]-3,4-dihydropyrazole-3,5-dicarboxamide
CID 42949836
(3R)-2-phenyl-5-N-(2-thiophen-3-ylethyl)-3,4-dihydropyrazole-3,5-dicarboxamide
CID 51938051
(3S)-5-N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 52509242
methyl (3S)-3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 95597362
5-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 43066120
(3R)-2-phenyl-5-N-[(1-phenylcyclobutyl)methyl]-3,4-dihydropyrazole-3,5-dicarboxamide
CID 51729138
(3S)-5-N-[(2,5-dimethoxyphenyl)methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 39999616
(3S)-5-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 94562873
5-N-benzhydryl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 46577919
prop-2-enyl (3S)-3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 94026024
5-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 56524247
(3S)-5-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 37287052

Frequently Asked Questions

What is the IUPAC name of (3S)-5-N-(2-phenoxyethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The IUPAC name of (3S)-5-N-(2-phenoxyethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide (CID 32935230) is (3S)-5-N-(2-phenoxyethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide.
What is the SMILES notation for (3S)-5-N-(2-phenoxyethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The canonical SMILES for (3S)-5-N-(2-phenoxyethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide is NC(=O)[C@@H]1CC(C(=O)NCCOc2ccccc2)=NN1c1ccccc1.
What is the InChIKey of (3S)-5-N-(2-phenoxyethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The InChIKey is HJTWFKZWGDAGKU-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H20N4O3/c20-18(24)17-13-16(22-23(17)14-7-3-1-4-8-14)19(25)21-11-12-26-15-9-5-2-6-10-15/h1-10,17H,11-13H2,(H2,20,24)(H,21,25)/t17-/m0/s1.
What are the key properties of (3S)-5-N-(2-phenoxyethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
(3S)-5-N-(2-phenoxyethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide has a molecular weight of 352.39 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-N-(2-phenoxyethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide is sourced from PubChem (CID 32935230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).