5-oxo-N-(4-phenylmethoxyphenyl)-1,2-dihydropyrazole-3-carboxamide

C17H15N3O3 — CID 110692063

IUPAC5-oxo-N-(4-phenylmethoxyphenyl)-1,2-dihydropyrazole-3-carboxamide
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)c1cc(=O)[nH][nH]1
InChIInChI=1S/C17H15N3O3/c21-16-10-15(19-20-16)17(22)18-13-6-8-14(9-7-13)23-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,18,22)(H2,19,20,21)
InChIKeyZSSBXHQKZLTUSD-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.53
Rot. Bonds5

About 5-oxo-N-(4-phenylmethoxyphenyl)-1,2-dihydropyrazole-3-carboxamide

5-oxo-N-(4-phenylmethoxyphenyl)-1,2-dihydropyrazole-3-carboxamide (PubChem CID 110692063) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 5-oxo-N-(4-phenylmethoxyphenyl)-1,2-dihydropyrazole-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(4-phenylmethoxyphenyl)-1,2-dihydropyrazole-3-carboxamide
PubChem CID110692063
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name5-oxo-N-(4-phenylmethoxyphenyl)-1,2-dihydropyrazole-3-carboxamide
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)c1cc(=O)[nH][nH]1
InChIInChI=1S/C17H15N3O3/c21-16-10-15(19-20-16)17(22)18-13-6-8-14(9-7-13)23-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,18,22)(H2,19,20,21)
InChIKeyZSSBXHQKZLTUSD-UHFFFAOYSA-N
XLogP2.53
TPSA86.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethoxyphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 110600672
5-oxo-N-(4-phenylmethoxyphenyl)-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136832138
N-[4-(phenoxymethyl)phenyl]benzamide
CID 141092226
3,5-dimethoxy-4-phenylmethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 139779676
3-(4-ethoxyphenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46856766
3-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 45030415
3,5-dimethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 2791610
4-cyano-N-(4-phenylmethoxyphenyl)benzamide
CID 40610982
2,4,5-trimethyl-N-(4-phenylmethoxyphenyl)benzamide
CID 100708399
2-iodo-N-(4-phenylmethoxyphenyl)benzamide
CID 615692
2-[(4-phenylmethoxyphenyl)carbamoyl]benzoate
CID 7033170
N-[4-(2-methylpropoxy)phenyl]-4-phenylmethoxybenzamide
CID 4958406

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(4-phenylmethoxyphenyl)-1,2-dihydropyrazole-3-carboxamide?
The IUPAC name of 5-oxo-N-(4-phenylmethoxyphenyl)-1,2-dihydropyrazole-3-carboxamide (CID 110692063) is 5-oxo-N-(4-phenylmethoxyphenyl)-1,2-dihydropyrazole-3-carboxamide.
What is the SMILES notation for 5-oxo-N-(4-phenylmethoxyphenyl)-1,2-dihydropyrazole-3-carboxamide?
The canonical SMILES for 5-oxo-N-(4-phenylmethoxyphenyl)-1,2-dihydropyrazole-3-carboxamide is O=C(Nc1ccc(OCc2ccccc2)cc1)c1cc(=O)[nH][nH]1.
What is the InChIKey of 5-oxo-N-(4-phenylmethoxyphenyl)-1,2-dihydropyrazole-3-carboxamide?
The InChIKey is ZSSBXHQKZLTUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c21-16-10-15(19-20-16)17(22)18-13-6-8-14(9-7-13)23-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,18,22)(H2,19,20,21).
What are the key properties of 5-oxo-N-(4-phenylmethoxyphenyl)-1,2-dihydropyrazole-3-carboxamide?
5-oxo-N-(4-phenylmethoxyphenyl)-1,2-dihydropyrazole-3-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 2.53, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(4-phenylmethoxyphenyl)-1,2-dihydropyrazole-3-carboxamide is sourced from PubChem (CID 110692063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).