N'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbohydrazide

C27H22N6O4 — CID 55369983

IUPACN'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbohydrazide
SMILESCOc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)c1
InChIInChI=1S/C27H22N6O4/c1-37-21-14-8-9-18(15-21)24-22(16-32(30-24)19-10-4-2-5-11-19)26(35)28-29-27(36)25-23(34)17-33(31-25)20-12-6-3-7-13-20/h2-17,34H,1H3,(H,28,35)(H,29,36)
InChIKeyLWIALOGQFPKAFE-UHFFFAOYSA-N
MW494.51 g/mol
LogP3.51
Rot. Bonds6

About N'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbohydrazide

N'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbohydrazide (PubChem CID 55369983) has the molecular formula C27H22N6O4 and a molecular weight of 494.51 g/mol. Its IUPAC name is N'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbohydrazide
PubChem CID55369983
Molecular FormulaC27H22N6O4
Molecular Weight494.51 g/mol
Exact Mass494.17
IUPAC NameN'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbohydrazide
SMILESCOc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)c1
InChIInChI=1S/C27H22N6O4/c1-37-21-14-8-9-18(15-21)24-22(16-32(30-24)19-10-4-2-5-11-19)26(35)28-29-27(36)25-23(34)17-33(31-25)20-12-6-3-7-13-20/h2-17,34H,1H3,(H,28,35)(H,29,36)
InChIKeyLWIALOGQFPKAFE-UHFFFAOYSA-N
XLogP3.51
TPSA123.30 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.51
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide
CID 46657487
N'-(2,4-dimethoxybenzoyl)-1,3-diphenylpyrazole-4-carbohydrazide
CID 24512976
3-(3-methoxyphenyl)-N-(1-methylpyrazol-3-yl)-1-phenylpyrazole-4-carboxamide
CID 31845892
N'-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbohydrazide
CID 25487346
N-(3-hydroxypropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 78795829
3-(3-methoxyphenyl)-N-pentan-2-yl-1-phenylpyrazole-4-carboxamide
CID 42988857
3-[[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid
CID 1287980
N-(3-ethoxypropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 43016952
N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 60557988
[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 43002761
1-[4-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 52573416
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 55674688

Frequently Asked Questions

What is the IUPAC name of N'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbohydrazide?
The IUPAC name of N'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbohydrazide (CID 55369983) is N'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbohydrazide.
What is the SMILES notation for N'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbohydrazide?
The canonical SMILES for N'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbohydrazide is COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)c1.
What is the InChIKey of N'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbohydrazide?
The InChIKey is LWIALOGQFPKAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N6O4/c1-37-21-14-8-9-18(15-21)24-22(16-32(30-24)19-10-4-2-5-11-19)26(35)28-29-27(36)25-23(34)17-33(31-25)20-12-6-3-7-13-20/h2-17,34H,1H3,(H,28,35)(H,29,36).
What are the key properties of N'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbohydrazide?
N'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbohydrazide has a molecular weight of 494.51 g/mol, XLogP of 3.51, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbohydrazide is sourced from PubChem (CID 55369983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).