N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide

C21H21N5O2 — CID 51129173

IUPACN-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
SMILESCc1noc(C(C)NC(=O)C2=NN(c3ccccc3)C(c3ccccc3)C2)n1
InChIInChI=1S/C21H21N5O2/c1-14(21-23-15(2)25-28-21)22-20(27)18-13-19(16-9-5-3-6-10-16)26(24-18)17-11-7-4-8-12-17/h3-12,14,19H,13H2,1-2H3,(H,22,27)
InChIKeyGLTZAOHIUMRXFG-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.56
Rot. Bonds5

About N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide

N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide (PubChem CID 51129173) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
PubChem CID51129173
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC NameN-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
SMILESCc1noc(C(C)NC(=O)C2=NN(c3ccccc3)C(c3ccccc3)C2)n1
InChIInChI=1S/C21H21N5O2/c1-14(21-23-15(2)25-28-21)22-20(27)18-13-19(16-9-5-3-6-10-16)26(24-18)17-11-7-4-8-12-17/h3-12,14,19H,13H2,1-2H3,(H,22,27)
InChIKeyGLTZAOHIUMRXFG-UHFFFAOYSA-N
XLogP3.56
TPSA83.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide with MolForge

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Related Compounds

(3S)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
CID 25472948
(3R)-N-methoxy-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
CID 38013267
(3S)-N-ethoxy-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
CID 36628252
(3R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
CID 97008607
(3S)-2,3-diphenyl-N-pyridin-3-yl-3,4-dihydropyrazole-5-carboxamide
CID 39997388
2-(N-methylanilino)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 97008975
(3S)-N-(1-methylpyrazol-3-yl)-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
CID 36625724
2,3-diphenyl-N-(1,3-thiazol-2-yl)-3,4-dihydropyrazole-5-carboxamide
CID 42888150
(3R)-2-phenyl-5-N-[(1S)-1-pyridin-2-ylethyl]-3,4-dihydropyrazole-3,5-dicarboxamide
CID 36629565
(3S)-3-acetyl-N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-phenyl-3,4-dihydropyrazole-5-carboxamide
CID 97003473
2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-3-carboxamide
CID 146083478
(3R)-2-(3-methylphenyl)-3-phenyl-3,4-dihydropyrazole-5-carboxylic acid
CID 95657064

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide (CID 51129173) is N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide is Cc1noc(C(C)NC(=O)C2=NN(c3ccccc3)C(c3ccccc3)C2)n1.
What is the InChIKey of N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is GLTZAOHIUMRXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-14(21-23-15(2)25-28-21)22-20(27)18-13-19(16-9-5-3-6-10-16)26(24-18)17-11-7-4-8-12-17/h3-12,14,19H,13H2,1-2H3,(H,22,27).
What are the key properties of N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide?
N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 51129173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).