1-phenyl-N'-[2-(2-phenylphenoxy)acetyl]-3-pyridin-3-ylpyrazole-4-carbohydrazide

C29H23N5O3 — CID 27568435

IUPAC1-phenyl-N'-[2-(2-phenylphenoxy)acetyl]-3-pyridin-3-ylpyrazole-4-carbohydrazide
SMILESO=C(COc1ccccc1-c1ccccc1)NNC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C29H23N5O3/c35-27(20-37-26-16-8-7-15-24(26)21-10-3-1-4-11-21)31-32-29(36)25-19-34(23-13-5-2-6-14-23)33-28(25)22-12-9-17-30-18-22/h1-19H,20H2,(H,31,35)(H,32,36)
InChIKeyIWKGJYZCPCFUAS-UHFFFAOYSA-N
MW489.54 g/mol
LogP4.44
Rot. Bonds7

About 1-phenyl-N'-[2-(2-phenylphenoxy)acetyl]-3-pyridin-3-ylpyrazole-4-carbohydrazide

1-phenyl-N'-[2-(2-phenylphenoxy)acetyl]-3-pyridin-3-ylpyrazole-4-carbohydrazide (PubChem CID 27568435) has the molecular formula C29H23N5O3 and a molecular weight of 489.54 g/mol. Its IUPAC name is 1-phenyl-N'-[2-(2-phenylphenoxy)acetyl]-3-pyridin-3-ylpyrazole-4-carbohydrazide.

Molecular Properties

Compound Name1-phenyl-N'-[2-(2-phenylphenoxy)acetyl]-3-pyridin-3-ylpyrazole-4-carbohydrazide
PubChem CID27568435
Molecular FormulaC29H23N5O3
Molecular Weight489.54 g/mol
Exact Mass489.18
IUPAC Name1-phenyl-N'-[2-(2-phenylphenoxy)acetyl]-3-pyridin-3-ylpyrazole-4-carbohydrazide
SMILESO=C(COc1ccccc1-c1ccccc1)NNC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C29H23N5O3/c35-27(20-37-26-16-8-7-15-24(26)21-10-3-1-4-11-21)31-32-29(36)25-19-34(23-13-5-2-6-14-23)33-28(25)22-12-9-17-30-18-22/h1-19H,20H2,(H,31,35)(H,32,36)
InChIKeyIWKGJYZCPCFUAS-UHFFFAOYSA-N
XLogP4.44
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.54
LogP ≤ 54.44
H-Bond Donors ≤ 52
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'-[2-(2-fluorophenoxy)acetyl]-1,3-diphenylpyrazole-4-carbohydrazide
CID 2100382
ethyl N-[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]carbamate
CID 51218944
N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 55901579
N'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide
CID 46657487
N-cyclopentyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9208931
N-cycloheptyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9268455
1-phenyl-3-pyridin-3-yl-N-[3-(pyridin-3-ylmethoxy)phenyl]pyrazole-4-carboxamide
CID 55804567
N'-(4-butoxy-3-methoxybenzoyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide
CID 25442499
1-phenyl-3-pyridin-3-yl-N-(3-quinolin-8-yloxypropyl)pyrazole-4-carboxamide
CID 56535064
N-(3-methoxypropyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 27556068
N-[2-oxo-2-(propan-2-ylamino)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9300157
N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 40815392

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N'-[2-(2-phenylphenoxy)acetyl]-3-pyridin-3-ylpyrazole-4-carbohydrazide?
The IUPAC name of 1-phenyl-N'-[2-(2-phenylphenoxy)acetyl]-3-pyridin-3-ylpyrazole-4-carbohydrazide (CID 27568435) is 1-phenyl-N'-[2-(2-phenylphenoxy)acetyl]-3-pyridin-3-ylpyrazole-4-carbohydrazide.
What is the SMILES notation for 1-phenyl-N'-[2-(2-phenylphenoxy)acetyl]-3-pyridin-3-ylpyrazole-4-carbohydrazide?
The canonical SMILES for 1-phenyl-N'-[2-(2-phenylphenoxy)acetyl]-3-pyridin-3-ylpyrazole-4-carbohydrazide is O=C(COc1ccccc1-c1ccccc1)NNC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1.
What is the InChIKey of 1-phenyl-N'-[2-(2-phenylphenoxy)acetyl]-3-pyridin-3-ylpyrazole-4-carbohydrazide?
The InChIKey is IWKGJYZCPCFUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N5O3/c35-27(20-37-26-16-8-7-15-24(26)21-10-3-1-4-11-21)31-32-29(36)25-19-34(23-13-5-2-6-14-23)33-28(25)22-12-9-17-30-18-22/h1-19H,20H2,(H,31,35)(H,32,36).
What are the key properties of 1-phenyl-N'-[2-(2-phenylphenoxy)acetyl]-3-pyridin-3-ylpyrazole-4-carbohydrazide?
1-phenyl-N'-[2-(2-phenylphenoxy)acetyl]-3-pyridin-3-ylpyrazole-4-carbohydrazide has a molecular weight of 489.54 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N'-[2-(2-phenylphenoxy)acetyl]-3-pyridin-3-ylpyrazole-4-carbohydrazide is sourced from PubChem (CID 27568435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).