3-(4-methoxyphenyl)-1-phenylpyrazole-5-carbohydrazide

C17H16N4O2 — CID 2387114

IUPAC3-(4-methoxyphenyl)-1-phenylpyrazole-5-carbohydrazide
SMILESCOc1ccc(-c2cc(C(=O)NN)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C17H16N4O2/c1-23-14-9-7-12(8-10-14)15-11-16(17(22)19-18)21(20-15)13-5-3-2-4-6-13/h2-11H,18H2,1H3,(H,19,22)
InChIKeyOCBDXKLIFRIOIK-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.15
Rot. Bonds4

About 3-(4-methoxyphenyl)-1-phenylpyrazole-5-carbohydrazide

3-(4-methoxyphenyl)-1-phenylpyrazole-5-carbohydrazide (PubChem CID 2387114) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-phenylpyrazole-5-carbohydrazide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-phenylpyrazole-5-carbohydrazide
PubChem CID2387114
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name3-(4-methoxyphenyl)-1-phenylpyrazole-5-carbohydrazide
SMILESCOc1ccc(-c2cc(C(=O)NN)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C17H16N4O2/c1-23-14-9-7-12(8-10-14)15-11-16(17(22)19-18)21(20-15)13-5-3-2-4-6-13/h2-11H,18H2,1H3,(H,19,22)
InChIKeyOCBDXKLIFRIOIK-UHFFFAOYSA-N
XLogP2.15
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(piperidin-1-yl)-5-(4-methoxyphenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxamide
CID 11037861
3-(2-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 760982
N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 5342941
1-(2-bromophenyl)-4-cyano-5-(4-methoxyphenyl)-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide
CID 11995516
N'-[(4-methoxyphenyl)acetyl]-3-methyl-1H-pyrazole-5-carbohydrazide
CID 833279
N-(4-methoxybenzyl)-3-methyl-1-phenyl-1H-pyrazole-5-carboxamide
CID 5015296
3-(4-ethoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 776488
5-(4-Methoxyphenyl)-1H-pyrazole-3-carboxylic acid hydrazide
CID 801126
N'~2~,N'~6~-bis[(E)-(4-methoxyphenyl)methylidene]pyridine-2,6-dicarbohydrazide
CID 6862979
5-Methyl-1-[2'-(trifluoromethoxy)-1,1'-biphenyl-3-yl]-1H-pyrazole-3-carboxamide
CID 9950804
4-[3,4-Dimethyl-2-(4-methylphenyl)-7-oxo-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL]-N-[(4-methoxyphenyl)methyl]butanamide
CID 20919914
1-[6-fluoro-2'-(trifluoromethoxy)-1,1'-biphenyl-3-yl]-5-methyl-1H-pyrazole-3-carboxamide
CID 49866119

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-phenylpyrazole-5-carbohydrazide?
The IUPAC name of 3-(4-methoxyphenyl)-1-phenylpyrazole-5-carbohydrazide (CID 2387114) is 3-(4-methoxyphenyl)-1-phenylpyrazole-5-carbohydrazide.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-phenylpyrazole-5-carbohydrazide?
The canonical SMILES for 3-(4-methoxyphenyl)-1-phenylpyrazole-5-carbohydrazide is COc1ccc(-c2cc(C(=O)NN)n(-c3ccccc3)n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-phenylpyrazole-5-carbohydrazide?
The InChIKey is OCBDXKLIFRIOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-23-14-9-7-12(8-10-14)15-11-16(17(22)19-18)21(20-15)13-5-3-2-4-6-13/h2-11H,18H2,1H3,(H,19,22).
What are the key properties of 3-(4-methoxyphenyl)-1-phenylpyrazole-5-carbohydrazide?
3-(4-methoxyphenyl)-1-phenylpyrazole-5-carbohydrazide has a molecular weight of 308.34 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-phenylpyrazole-5-carbohydrazide is sourced from PubChem (CID 2387114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).