N'-[2-(4-fluorophenyl)cyclopropanecarbonyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide

C21H19FN4O3 — CID 78832186

IUPACN'-[2-(4-fluorophenyl)cyclopropanecarbonyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
SMILESCOc1ccc(-c2cc(C(=O)NNC(=O)C3CC3c3ccc(F)cc3)[nH]n2)cc1
InChIInChI=1S/C21H19FN4O3/c1-29-15-8-4-13(5-9-15)18-11-19(24-23-18)21(28)26-25-20(27)17-10-16(17)12-2-6-14(22)7-3-12/h2-9,11,16-17H,10H2,1H3,(H,23,24)(H,25,27)(H,26,28)
InChIKeyBZFLWJZFSLASTJ-UHFFFAOYSA-N
MW394.41 g/mol
LogP2.79
Rot. Bonds5

About N'-[2-(4-fluorophenyl)cyclopropanecarbonyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide

N'-[2-(4-fluorophenyl)cyclopropanecarbonyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide (PubChem CID 78832186) has the molecular formula C21H19FN4O3 and a molecular weight of 394.41 g/mol. Its IUPAC name is N'-[2-(4-fluorophenyl)cyclopropanecarbonyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-fluorophenyl)cyclopropanecarbonyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
PubChem CID78832186
Molecular FormulaC21H19FN4O3
Molecular Weight394.41 g/mol
Exact Mass394.14
IUPAC NameN'-[2-(4-fluorophenyl)cyclopropanecarbonyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
SMILESCOc1ccc(-c2cc(C(=O)NNC(=O)C3CC3c3ccc(F)cc3)[nH]n2)cc1
InChIInChI=1S/C21H19FN4O3/c1-29-15-8-4-13(5-9-15)18-11-19(24-23-18)21(28)26-25-20(27)17-10-16(17)12-2-6-14(22)7-3-12/h2-9,11,16-17H,10H2,1H3,(H,23,24)(H,25,27)(H,26,28)
InChIKeyBZFLWJZFSLASTJ-UHFFFAOYSA-N
XLogP2.79
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(4-fluorophenyl)cyclopropanecarbonyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide?
The IUPAC name of N'-[2-(4-fluorophenyl)cyclopropanecarbonyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide (CID 78832186) is N'-[2-(4-fluorophenyl)cyclopropanecarbonyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide.
What is the SMILES notation for N'-[2-(4-fluorophenyl)cyclopropanecarbonyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide?
The canonical SMILES for N'-[2-(4-fluorophenyl)cyclopropanecarbonyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide is COc1ccc(-c2cc(C(=O)NNC(=O)C3CC3c3ccc(F)cc3)[nH]n2)cc1.
What is the InChIKey of N'-[2-(4-fluorophenyl)cyclopropanecarbonyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide?
The InChIKey is BZFLWJZFSLASTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O3/c1-29-15-8-4-13(5-9-15)18-11-19(24-23-18)21(28)26-25-20(27)17-10-16(17)12-2-6-14(22)7-3-12/h2-9,11,16-17H,10H2,1H3,(H,23,24)(H,25,27)(H,26,28).
What are the key properties of N'-[2-(4-fluorophenyl)cyclopropanecarbonyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide?
N'-[2-(4-fluorophenyl)cyclopropanecarbonyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide has a molecular weight of 394.41 g/mol, XLogP of 2.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-fluorophenyl)cyclopropanecarbonyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide is sourced from PubChem (CID 78832186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).