1-(2-chlorophenyl)-N'-(2-fluorobenzoyl)pyrazole-4-carbohydrazide

C17H12ClFN4O2 — CID 49156531

IUPAC1-(2-chlorophenyl)-N'-(2-fluorobenzoyl)pyrazole-4-carbohydrazide
SMILESO=C(NNC(=O)c1ccccc1F)c1cnn(-c2ccccc2Cl)c1
InChIInChI=1S/C17H12ClFN4O2/c18-13-6-2-4-8-15(13)23-10-11(9-20-23)16(24)21-22-17(25)12-5-1-3-7-14(12)19/h1-10H,(H,21,24)(H,22,25)
InChIKeySYHFIEZZSBMCBY-UHFFFAOYSA-N
MW358.76 g/mol
LogP2.74
Rot. Bonds3

About 1-(2-chlorophenyl)-N'-(2-fluorobenzoyl)pyrazole-4-carbohydrazide

1-(2-chlorophenyl)-N'-(2-fluorobenzoyl)pyrazole-4-carbohydrazide (PubChem CID 49156531) has the molecular formula C17H12ClFN4O2 and a molecular weight of 358.76 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N'-(2-fluorobenzoyl)pyrazole-4-carbohydrazide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N'-(2-fluorobenzoyl)pyrazole-4-carbohydrazide
PubChem CID49156531
Molecular FormulaC17H12ClFN4O2
Molecular Weight358.76 g/mol
Exact Mass358.06
IUPAC Name1-(2-chlorophenyl)-N'-(2-fluorobenzoyl)pyrazole-4-carbohydrazide
SMILESO=C(NNC(=O)c1ccccc1F)c1cnn(-c2ccccc2Cl)c1
InChIInChI=1S/C17H12ClFN4O2/c18-13-6-2-4-8-15(13)23-10-11(9-20-23)16(24)21-22-17(25)12-5-1-3-7-14(12)19/h1-10H,(H,21,24)(H,22,25)
InChIKeySYHFIEZZSBMCBY-UHFFFAOYSA-N
XLogP2.74
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.76
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-fluorobenzoyl)-1-phenylpyrazole-4-carbohydrazide
CID 26246673
5,6-dichloro-N'-(2-fluorobenzoyl)pyridine-3-carbohydrazide
CID 2087408
1-(3-chlorophenyl)-N-[2-[(2-fluorobenzoyl)amino]ethyl]pyrazole-4-carboxamide
CID 55974960
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-1-(2-chlorophenyl)pyrazole-4-carboxamide
CID 52513898
1-(2-chlorophenyl)-N-[3-(2-hydroxyethoxy)propyl]pyrazole-4-carboxamide
CID 110022361
N-(3,5-difluorophenyl)-1-(2-fluorophenyl)pyrazole-4-carboxamide
CID 94828526
N'-(2-fluorobenzoyl)pyridine-4-carbohydrazide
CID 959956
N'-(2-fluorobenzoyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carbohydrazide
CID 33480680
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(2-chlorophenyl)pyrazole-4-carboxamide
CID 49162463
1-(2-chlorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]pyrazole-4-carboxamide
CID 94813569
1-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide
CID 94828462
1-(2-chlorophenyl)-N-(2-methoxy-3-pyridinyl)pyrazole-4-carboxamide
CID 49161240

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N'-(2-fluorobenzoyl)pyrazole-4-carbohydrazide?
The IUPAC name of 1-(2-chlorophenyl)-N'-(2-fluorobenzoyl)pyrazole-4-carbohydrazide (CID 49156531) is 1-(2-chlorophenyl)-N'-(2-fluorobenzoyl)pyrazole-4-carbohydrazide.
What is the SMILES notation for 1-(2-chlorophenyl)-N'-(2-fluorobenzoyl)pyrazole-4-carbohydrazide?
The canonical SMILES for 1-(2-chlorophenyl)-N'-(2-fluorobenzoyl)pyrazole-4-carbohydrazide is O=C(NNC(=O)c1ccccc1F)c1cnn(-c2ccccc2Cl)c1.
What is the InChIKey of 1-(2-chlorophenyl)-N'-(2-fluorobenzoyl)pyrazole-4-carbohydrazide?
The InChIKey is SYHFIEZZSBMCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN4O2/c18-13-6-2-4-8-15(13)23-10-11(9-20-23)16(24)21-22-17(25)12-5-1-3-7-14(12)19/h1-10H,(H,21,24)(H,22,25).
What are the key properties of 1-(2-chlorophenyl)-N'-(2-fluorobenzoyl)pyrazole-4-carbohydrazide?
1-(2-chlorophenyl)-N'-(2-fluorobenzoyl)pyrazole-4-carbohydrazide has a molecular weight of 358.76 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N'-(2-fluorobenzoyl)pyrazole-4-carbohydrazide is sourced from PubChem (CID 49156531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).