N'-(4-butoxy-3-methoxybenzoyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide

C27H27N5O4 — CID 25442499

IUPACN'-(4-butoxy-3-methoxybenzoyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1OC
InChIInChI=1S/C27H27N5O4/c1-3-4-15-36-23-13-12-19(16-24(23)35-2)26(33)29-30-27(34)22-18-32(21-10-6-5-7-11-21)31-25(22)20-9-8-14-28-17-20/h5-14,16-18H,3-4,15H2,1-2H3,(H,29,33)(H,30,34)
InChIKeyLMNFHFQEQZSCLC-UHFFFAOYSA-N
MW485.54 g/mol
LogP4.20
Rot. Bonds9

About N'-(4-butoxy-3-methoxybenzoyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide

N'-(4-butoxy-3-methoxybenzoyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide (PubChem CID 25442499) has the molecular formula C27H27N5O4 and a molecular weight of 485.54 g/mol. Its IUPAC name is N'-(4-butoxy-3-methoxybenzoyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(4-butoxy-3-methoxybenzoyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide
PubChem CID25442499
Molecular FormulaC27H27N5O4
Molecular Weight485.54 g/mol
Exact Mass485.21
IUPAC NameN'-(4-butoxy-3-methoxybenzoyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1OC
InChIInChI=1S/C27H27N5O4/c1-3-4-15-36-23-13-12-19(16-24(23)35-2)26(33)29-30-27(34)22-18-32(21-10-6-5-7-11-21)31-25(22)20-9-8-14-28-17-20/h5-14,16-18H,3-4,15H2,1-2H3,(H,29,33)(H,30,34)
InChIKeyLMNFHFQEQZSCLC-UHFFFAOYSA-N
XLogP4.20
TPSA107.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]carbamate
CID 51218944
N'-benzoyl-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbohydrazide
CID 43012762
N-(3-methoxypropyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 27556068
1-phenyl-N'-[2-(2-phenylphenoxy)acetyl]-3-pyridin-3-ylpyrazole-4-carbohydrazide
CID 27568435
N'-benzoyl-4-butoxy-3-methoxybenzohydrazide
CID 9440054
N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 40815392
N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 31366325
methyl 4-[[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]methyl]benzoate
CID 2381703
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
N'-(4-butoxy-3-methoxybenzoyl)-2-methyl-6-phenylpyridine-3-carbohydrazide
CID 24531698
N'-(4-butoxy-3-methoxybenzoyl)naphthalene-1-carbohydrazide
CID 26621633

Frequently Asked Questions

What is the IUPAC name of N'-(4-butoxy-3-methoxybenzoyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide?
The IUPAC name of N'-(4-butoxy-3-methoxybenzoyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide (CID 25442499) is N'-(4-butoxy-3-methoxybenzoyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide.
What is the SMILES notation for N'-(4-butoxy-3-methoxybenzoyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide?
The canonical SMILES for N'-(4-butoxy-3-methoxybenzoyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide is CCCCOc1ccc(C(=O)NNC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1OC.
What is the InChIKey of N'-(4-butoxy-3-methoxybenzoyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide?
The InChIKey is LMNFHFQEQZSCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O4/c1-3-4-15-36-23-13-12-19(16-24(23)35-2)26(33)29-30-27(34)22-18-32(21-10-6-5-7-11-21)31-25(22)20-9-8-14-28-17-20/h5-14,16-18H,3-4,15H2,1-2H3,(H,29,33)(H,30,34).
What are the key properties of N'-(4-butoxy-3-methoxybenzoyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide?
N'-(4-butoxy-3-methoxybenzoyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide has a molecular weight of 485.54 g/mol, XLogP of 4.20, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-butoxy-3-methoxybenzoyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide is sourced from PubChem (CID 25442499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).