N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-3-(4-methylphenyl)-1,2-oxazole-5-carbohydrazide

C22H19N5O4 — CID 78870510

IUPACN'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-3-(4-methylphenyl)-1,2-oxazole-5-carbohydrazide
SMILESCOc1ccc(-c2cc(C(=O)NNC(=O)c3cc(-c4ccc(C)cc4)no3)[nH]n2)cc1
InChIInChI=1S/C22H19N5O4/c1-13-3-5-15(6-4-13)18-12-20(31-27-18)22(29)26-25-21(28)19-11-17(23-24-19)14-7-9-16(30-2)10-8-14/h3-12H,1-2H3,(H,23,24)(H,25,28)(H,26,29)
InChIKeyPFYNPHFTPHVBGE-UHFFFAOYSA-N
MW417.43 g/mol
LogP3.12
Rot. Bonds5

About N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-3-(4-methylphenyl)-1,2-oxazole-5-carbohydrazide

N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-3-(4-methylphenyl)-1,2-oxazole-5-carbohydrazide (PubChem CID 78870510) has the molecular formula C22H19N5O4 and a molecular weight of 417.43 g/mol. Its IUPAC name is N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-3-(4-methylphenyl)-1,2-oxazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-3-(4-methylphenyl)-1,2-oxazole-5-carbohydrazide
PubChem CID78870510
Molecular FormulaC22H19N5O4
Molecular Weight417.43 g/mol
Exact Mass417.14
IUPAC NameN'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-3-(4-methylphenyl)-1,2-oxazole-5-carbohydrazide
SMILESCOc1ccc(-c2cc(C(=O)NNC(=O)c3cc(-c4ccc(C)cc4)no3)[nH]n2)cc1
InChIInChI=1S/C22H19N5O4/c1-13-3-5-15(6-4-13)18-12-20(31-27-18)22(29)26-25-21(28)19-11-17(23-24-19)14-7-9-16(30-2)10-8-14/h3-12H,1-2H3,(H,23,24)(H,25,28)(H,26,29)
InChIKeyPFYNPHFTPHVBGE-UHFFFAOYSA-N
XLogP3.12
TPSA122.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.43
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(1-benzofuran-2-carbonyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 78803284
N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-5-methyl-1H-pyrazole-3-carbohydrazide
CID 78901393
N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-2,5-dimethylpyrazole-3-carbohydrazide
CID 78904333
3-(4-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 20918235
N-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 46427832
N'-(2-cyclopentylacetyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 78803224
N-(2-fluoro-5-methylphenyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508782
N'-(4-bromo-2-fluorobenzoyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 78820177
methyl 3-(4-methylphenyl)-1,2-oxazole-5-carboxylate
CID 776547
N-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 30000054
3-tert-butyl-N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-1-methylpyrazole-5-carbohydrazide
CID 78894033
N'-[1-(4-chlorophenyl)ethenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 2068775

Frequently Asked Questions

What is the IUPAC name of N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-3-(4-methylphenyl)-1,2-oxazole-5-carbohydrazide?
The IUPAC name of N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-3-(4-methylphenyl)-1,2-oxazole-5-carbohydrazide (CID 78870510) is N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-3-(4-methylphenyl)-1,2-oxazole-5-carbohydrazide.
What is the SMILES notation for N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-3-(4-methylphenyl)-1,2-oxazole-5-carbohydrazide?
The canonical SMILES for N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-3-(4-methylphenyl)-1,2-oxazole-5-carbohydrazide is COc1ccc(-c2cc(C(=O)NNC(=O)c3cc(-c4ccc(C)cc4)no3)[nH]n2)cc1.
What is the InChIKey of N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-3-(4-methylphenyl)-1,2-oxazole-5-carbohydrazide?
The InChIKey is PFYNPHFTPHVBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O4/c1-13-3-5-15(6-4-13)18-12-20(31-27-18)22(29)26-25-21(28)19-11-17(23-24-19)14-7-9-16(30-2)10-8-14/h3-12H,1-2H3,(H,23,24)(H,25,28)(H,26,29).
What are the key properties of N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-3-(4-methylphenyl)-1,2-oxazole-5-carbohydrazide?
N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-3-(4-methylphenyl)-1,2-oxazole-5-carbohydrazide has a molecular weight of 417.43 g/mol, XLogP of 3.12, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]-3-(4-methylphenyl)-1,2-oxazole-5-carbohydrazide is sourced from PubChem (CID 78870510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).