3-oxo-2-phenyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-5-carboxamide

C19H15N5O3 — CID 91787668

IUPAC3-oxo-2-phenyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1noc(-c2ccccc2)n1)c1cc(=O)n(-c2ccccc2)[nH]1
InChIInChI=1S/C19H15N5O3/c25-17-11-15(22-24(17)14-9-5-2-6-10-14)18(26)20-12-16-21-19(27-23-16)13-7-3-1-4-8-13/h1-11,22H,12H2,(H,20,26)
InChIKeyUPVCFLCVUJCEGA-UHFFFAOYSA-N
MW361.36 g/mol
LogP2.15
Rot. Bonds5

About 3-oxo-2-phenyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-5-carboxamide

3-oxo-2-phenyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 91787668) has the molecular formula C19H15N5O3 and a molecular weight of 361.36 g/mol. Its IUPAC name is 3-oxo-2-phenyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-oxo-2-phenyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID91787668
Molecular FormulaC19H15N5O3
Molecular Weight361.36 g/mol
Exact Mass361.12
IUPAC Name3-oxo-2-phenyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1noc(-c2ccccc2)n1)c1cc(=O)n(-c2ccccc2)[nH]1
InChIInChI=1S/C19H15N5O3/c25-17-11-15(22-24(17)14-9-5-2-6-10-14)18(26)20-12-16-21-19(27-23-16)13-7-3-1-4-8-13/h1-11,22H,12H2,(H,20,26)
InChIKeyUPVCFLCVUJCEGA-UHFFFAOYSA-N
XLogP2.15
TPSA105.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide
CID 54252922
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide
CID 91765548
3-oxo-2-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 91771220
3,5-dimethoxy-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 51233804
2-oxo-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide
CID 46964328
5-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-4-carboxamide
CID 53002354
N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]quinoxaline-2-carboxamide
CID 51098204
N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2-pyrrolidin-1-ylbenzamide
CID 90653338
2-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1-benzofuran-5-carboxamide
CID 46964324
3,3-dimethyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]butanamide
CID 53098234
N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylacetamide
CID 53098206
1-(4-methylphenyl)-3-phenyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-carboxamide
CID 46917444

Frequently Asked Questions

What is the IUPAC name of 3-oxo-2-phenyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-oxo-2-phenyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-5-carboxamide (CID 91787668) is 3-oxo-2-phenyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-oxo-2-phenyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-oxo-2-phenyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-5-carboxamide is O=C(NCc1noc(-c2ccccc2)n1)c1cc(=O)n(-c2ccccc2)[nH]1.
What is the InChIKey of 3-oxo-2-phenyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is UPVCFLCVUJCEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O3/c25-17-11-15(22-24(17)14-9-5-2-6-10-14)18(26)20-12-16-21-19(27-23-16)13-7-3-1-4-8-13/h1-11,22H,12H2,(H,20,26).
What are the key properties of 3-oxo-2-phenyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-5-carboxamide?
3-oxo-2-phenyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 361.36 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2-phenyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 91787668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).