5-ethyl-N'-(2-fluorobenzoyl)-1-(4-fluorophenyl)pyrazole-4-carbohydrazide

C19H16F2N4O2 — CID 31891063

IUPAC5-ethyl-N'-(2-fluorobenzoyl)-1-(4-fluorophenyl)pyrazole-4-carbohydrazide
SMILESCCc1c(C(=O)NNC(=O)c2ccccc2F)cnn1-c1ccc(F)cc1
InChIInChI=1S/C19H16F2N4O2/c1-2-17-15(11-22-25(17)13-9-7-12(20)8-10-13)19(27)24-23-18(26)14-5-3-4-6-16(14)21/h3-11H,2H2,1H3,(H,23,26)(H,24,27)
InChIKeyVJTCPENJHPNORR-UHFFFAOYSA-N
MW370.36 g/mol
LogP2.79
Rot. Bonds4

About 5-ethyl-N'-(2-fluorobenzoyl)-1-(4-fluorophenyl)pyrazole-4-carbohydrazide

5-ethyl-N'-(2-fluorobenzoyl)-1-(4-fluorophenyl)pyrazole-4-carbohydrazide (PubChem CID 31891063) has the molecular formula C19H16F2N4O2 and a molecular weight of 370.36 g/mol. Its IUPAC name is 5-ethyl-N'-(2-fluorobenzoyl)-1-(4-fluorophenyl)pyrazole-4-carbohydrazide.

Molecular Properties

Compound Name5-ethyl-N'-(2-fluorobenzoyl)-1-(4-fluorophenyl)pyrazole-4-carbohydrazide
PubChem CID31891063
Molecular FormulaC19H16F2N4O2
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC Name5-ethyl-N'-(2-fluorobenzoyl)-1-(4-fluorophenyl)pyrazole-4-carbohydrazide
SMILESCCc1c(C(=O)NNC(=O)c2ccccc2F)cnn1-c1ccc(F)cc1
InChIInChI=1S/C19H16F2N4O2/c1-2-17-15(11-22-25(17)13-9-7-12(20)8-10-13)19(27)24-23-18(26)14-5-3-4-6-16(14)21/h3-11H,2H2,1H3,(H,23,26)(H,24,27)
InChIKeyVJTCPENJHPNORR-UHFFFAOYSA-N
XLogP2.79
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 52.79
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

5-ethyl-1-(4-fluorophenyl)-N'-(2-hydroxybenzoyl)pyrazole-4-carbohydrazide
CID 31978367
1-[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]-3-methylurea
CID 86835872
N-(3-aminopropyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide;hydrochloride
CID 119406144
3-[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]propanoic acid
CID 119176883
N'-benzoyl-5-ethyl-1-(4-methylphenyl)pyrazole-4-carbohydrazide
CID 46582435
N-[[2-(ethoxymethyl)phenyl]methyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 37397456
5-ethyl-N-(3-ethylphenyl)-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 31887301
N-(3-ethoxypropyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 31889145
2-[2-[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119241427
N-[(2S)-1-aminopropan-2-yl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide;hydrochloride
CID 120506558
methyl (2S)-2-[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]propanoate
CID 87040238
N'-[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]-1H-indole-3-carbohydrazide
CID 134034968

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N'-(2-fluorobenzoyl)-1-(4-fluorophenyl)pyrazole-4-carbohydrazide?
The IUPAC name of 5-ethyl-N'-(2-fluorobenzoyl)-1-(4-fluorophenyl)pyrazole-4-carbohydrazide (CID 31891063) is 5-ethyl-N'-(2-fluorobenzoyl)-1-(4-fluorophenyl)pyrazole-4-carbohydrazide.
What is the SMILES notation for 5-ethyl-N'-(2-fluorobenzoyl)-1-(4-fluorophenyl)pyrazole-4-carbohydrazide?
The canonical SMILES for 5-ethyl-N'-(2-fluorobenzoyl)-1-(4-fluorophenyl)pyrazole-4-carbohydrazide is CCc1c(C(=O)NNC(=O)c2ccccc2F)cnn1-c1ccc(F)cc1.
What is the InChIKey of 5-ethyl-N'-(2-fluorobenzoyl)-1-(4-fluorophenyl)pyrazole-4-carbohydrazide?
The InChIKey is VJTCPENJHPNORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O2/c1-2-17-15(11-22-25(17)13-9-7-12(20)8-10-13)19(27)24-23-18(26)14-5-3-4-6-16(14)21/h3-11H,2H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 5-ethyl-N'-(2-fluorobenzoyl)-1-(4-fluorophenyl)pyrazole-4-carbohydrazide?
5-ethyl-N'-(2-fluorobenzoyl)-1-(4-fluorophenyl)pyrazole-4-carbohydrazide has a molecular weight of 370.36 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N'-(2-fluorobenzoyl)-1-(4-fluorophenyl)pyrazole-4-carbohydrazide is sourced from PubChem (CID 31891063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).