(3S)-N-ethoxy-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide

C18H19N3O2 — CID 36628252

IUPAC(3S)-N-ethoxy-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
SMILESCCONC(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1
InChIInChI=1S/C18H19N3O2/c1-2-23-20-18(22)16-13-17(14-9-5-3-6-10-14)21(19-16)15-11-7-4-8-12-15/h3-12,17H,2,13H2,1H3,(H,20,22)/t17-/m0/s1
InChIKeyUMWQWJNITHPPCB-KRWDZBQOSA-N
MW309.37 g/mol
LogP3.06
Rot. Bonds5

About (3S)-N-ethoxy-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide

(3S)-N-ethoxy-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide (PubChem CID 36628252) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is (3S)-N-ethoxy-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound Name(3S)-N-ethoxy-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
PubChem CID36628252
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name(3S)-N-ethoxy-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
SMILESCCONC(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1
InChIInChI=1S/C18H19N3O2/c1-2-23-20-18(22)16-13-17(14-9-5-3-6-10-14)21(19-16)15-11-7-4-8-12-15/h3-12,17H,2,13H2,1H3,(H,20,22)/t17-/m0/s1
InChIKeyUMWQWJNITHPPCB-KRWDZBQOSA-N
XLogP3.06
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-methoxy-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
CID 38013267
ethyl 4-[(2,3-diphenyl-3,4-dihydropyrazole-5-carbonyl)amino]piperidine-1-carboxylate
CID 55561596
(3S)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
CID 25472948
[2-(methylcarbamoylamino)-2-oxoethyl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate
CID 55560806
methyl 5-[(2,3-diphenyl-3,4-dihydropyrazole-5-carbonyl)amino]pentanoate
CID 60590935
methyl 2-[(2,3-diphenyl-3,4-dihydropyrazole-5-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 56580467
sodium 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate
CID 24844262
(3S)-N-(1-methylpyrazol-3-yl)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
CID 36625724
(3R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
CID 97008607
ethyl 3-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 170722092
(3R)-2,3-diphenyl-N-(3-pyrazol-1-ylpropyl)-3,4-dihydropyrazole-5-carboxamide
CID 37392411
N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
CID 51129173

Frequently Asked Questions

What is the IUPAC name of (3S)-N-ethoxy-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of (3S)-N-ethoxy-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide (CID 36628252) is (3S)-N-ethoxy-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for (3S)-N-ethoxy-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for (3S)-N-ethoxy-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide is CCONC(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1.
What is the InChIKey of (3S)-N-ethoxy-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is UMWQWJNITHPPCB-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-2-23-20-18(22)16-13-17(14-9-5-3-6-10-14)21(19-16)15-11-7-4-8-12-15/h3-12,17H,2,13H2,1H3,(H,20,22)/t17-/m0/s1.
What are the key properties of (3S)-N-ethoxy-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide?
(3S)-N-ethoxy-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-ethoxy-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 36628252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).