N'-(2-fluorobenzoyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbohydrazide

C19H16F2N4O2 — CID 26246659

IUPACN'-(2-fluorobenzoyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbohydrazide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NNC(=O)c1ccccc1F
InChIInChI=1S/C19H16F2N4O2/c1-11-17(12(2)25(24-11)14-9-7-13(20)8-10-14)19(27)23-22-18(26)15-5-3-4-6-16(15)21/h3-10H,1-2H3,(H,22,26)(H,23,27)
InChIKeyDNRCRWOELQONEE-UHFFFAOYSA-N
MW370.36 g/mol
LogP2.84
Rot. Bonds3

About N'-(2-fluorobenzoyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbohydrazide

N'-(2-fluorobenzoyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbohydrazide (PubChem CID 26246659) has the molecular formula C19H16F2N4O2 and a molecular weight of 370.36 g/mol. Its IUPAC name is N'-(2-fluorobenzoyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(2-fluorobenzoyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbohydrazide
PubChem CID26246659
Molecular FormulaC19H16F2N4O2
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC NameN'-(2-fluorobenzoyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbohydrazide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NNC(=O)c1ccccc1F
InChIInChI=1S/C19H16F2N4O2/c1-11-17(12(2)25(24-11)14-9-7-13(20)8-10-14)19(27)23-22-18(26)15-5-3-4-6-16(15)21/h3-10H,1-2H3,(H,22,26)(H,23,27)
InChIKeyDNRCRWOELQONEE-UHFFFAOYSA-N
XLogP2.84
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 52.84
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-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]-2-fluorobenzohydrazide
CID 51274472
N'-(1,3-diphenylpyrazole-4-carbonyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbohydrazide
CID 55381258
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-fluorobenzamide
CID 51275491
1-(4-fluorophenyl)-3,5-dimethyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide;hydrochloride
CID 119502383
1-(4-fluorophenyl)-3,5-dimethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]pyrazole-4-carbohydrazide
CID 46612528
1-(4-fluorophenyl)-3,5-dimethyl-N-pyridin-4-ylpyrazole-4-carboxamide
CID 25336520
5-ethyl-N'-(2-fluorobenzoyl)-1-(4-fluorophenyl)pyrazole-4-carbohydrazide
CID 31891063
N-(2,5-difluorophenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 26244719
N-[2-(ethylamino)ethyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide;hydrochloride
CID 119507312
N-[3-[benzyl(methyl)amino]propyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 31588579
5-chloro-1-(4-fluorophenyl)-3-methyl-N'-(1H-pyrrole-2-carbonyl)pyrazole-4-carbohydrazide
CID 78813095
N-(4-aminocyclohexyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide;hydrochloride
CID 119477007

Frequently Asked Questions

What is the IUPAC name of N'-(2-fluorobenzoyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbohydrazide?
The IUPAC name of N'-(2-fluorobenzoyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbohydrazide (CID 26246659) is N'-(2-fluorobenzoyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbohydrazide.
What is the SMILES notation for N'-(2-fluorobenzoyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbohydrazide?
The canonical SMILES for N'-(2-fluorobenzoyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbohydrazide is Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NNC(=O)c1ccccc1F.
What is the InChIKey of N'-(2-fluorobenzoyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbohydrazide?
The InChIKey is DNRCRWOELQONEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O2/c1-11-17(12(2)25(24-11)14-9-7-13(20)8-10-14)19(27)23-22-18(26)15-5-3-4-6-16(15)21/h3-10H,1-2H3,(H,22,26)(H,23,27).
What are the key properties of N'-(2-fluorobenzoyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbohydrazide?
N'-(2-fluorobenzoyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbohydrazide has a molecular weight of 370.36 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorobenzoyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbohydrazide is sourced from PubChem (CID 26246659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).