N'-(2-methoxyphenyl)-1-phenyl-5-propylpyrazole-4-carbohydrazide

C20H22N4O2 — CID 2812503

IUPACN'-(2-methoxyphenyl)-1-phenyl-5-propylpyrazole-4-carbohydrazide
SMILESCCCc1c(C(=O)NNc2ccccc2OC)cnn1-c1ccccc1
InChIInChI=1S/C20H22N4O2/c1-3-9-18-16(14-21-24(18)15-10-5-4-6-11-15)20(25)23-22-17-12-7-8-13-19(17)26-2/h4-8,10-14,22H,3,9H2,1-2H3,(H,23,25)
InChIKeyIOVHDDDXWBJQSG-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.59
Rot. Bonds7

About N'-(2-methoxyphenyl)-1-phenyl-5-propylpyrazole-4-carbohydrazide

N'-(2-methoxyphenyl)-1-phenyl-5-propylpyrazole-4-carbohydrazide (PubChem CID 2812503) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N'-(2-methoxyphenyl)-1-phenyl-5-propylpyrazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(2-methoxyphenyl)-1-phenyl-5-propylpyrazole-4-carbohydrazide
PubChem CID2812503
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN'-(2-methoxyphenyl)-1-phenyl-5-propylpyrazole-4-carbohydrazide
SMILESCCCc1c(C(=O)NNc2ccccc2OC)cnn1-c1ccccc1
InChIInChI=1S/C20H22N4O2/c1-3-9-18-16(14-21-24(18)15-10-5-4-6-11-15)20(25)23-22-17-12-7-8-13-19(17)26-2/h4-8,10-14,22H,3,9H2,1-2H3,(H,23,25)
InChIKeyIOVHDDDXWBJQSG-UHFFFAOYSA-N
XLogP3.59
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyphenyl)-1-phenyl-5-propylpyrazole-4-carbohydrazide?
The IUPAC name of N'-(2-methoxyphenyl)-1-phenyl-5-propylpyrazole-4-carbohydrazide (CID 2812503) is N'-(2-methoxyphenyl)-1-phenyl-5-propylpyrazole-4-carbohydrazide.
What is the SMILES notation for N'-(2-methoxyphenyl)-1-phenyl-5-propylpyrazole-4-carbohydrazide?
The canonical SMILES for N'-(2-methoxyphenyl)-1-phenyl-5-propylpyrazole-4-carbohydrazide is CCCc1c(C(=O)NNc2ccccc2OC)cnn1-c1ccccc1.
What is the InChIKey of N'-(2-methoxyphenyl)-1-phenyl-5-propylpyrazole-4-carbohydrazide?
The InChIKey is IOVHDDDXWBJQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-3-9-18-16(14-21-24(18)15-10-5-4-6-11-15)20(25)23-22-17-12-7-8-13-19(17)26-2/h4-8,10-14,22H,3,9H2,1-2H3,(H,23,25).
What are the key properties of N'-(2-methoxyphenyl)-1-phenyl-5-propylpyrazole-4-carbohydrazide?
N'-(2-methoxyphenyl)-1-phenyl-5-propylpyrazole-4-carbohydrazide has a molecular weight of 350.42 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyphenyl)-1-phenyl-5-propylpyrazole-4-carbohydrazide is sourced from PubChem (CID 2812503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).