1-(3-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]pyrazole-3-carbohydrazide

C18H14F2N4O2 — CID 47879002

IUPAC1-(3-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]pyrazole-3-carbohydrazide
SMILESO=C(Cc1ccc(F)cc1)NNC(=O)c1ccn(-c2cccc(F)c2)n1
InChIInChI=1S/C18H14F2N4O2/c19-13-6-4-12(5-7-13)10-17(25)21-22-18(26)16-8-9-24(23-16)15-3-1-2-14(20)11-15/h1-9,11H,10H2,(H,21,25)(H,22,26)
InChIKeyVBHHPLJYAVLQDW-UHFFFAOYSA-N
MW356.33 g/mol
LogP2.15
Rot. Bonds4

About 1-(3-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]pyrazole-3-carbohydrazide

1-(3-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]pyrazole-3-carbohydrazide (PubChem CID 47879002) has the molecular formula C18H14F2N4O2 and a molecular weight of 356.33 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]pyrazole-3-carbohydrazide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]pyrazole-3-carbohydrazide
PubChem CID47879002
Molecular FormulaC18H14F2N4O2
Molecular Weight356.33 g/mol
Exact Mass356.11
IUPAC Name1-(3-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]pyrazole-3-carbohydrazide
SMILESO=C(Cc1ccc(F)cc1)NNC(=O)c1ccn(-c2cccc(F)c2)n1
InChIInChI=1S/C18H14F2N4O2/c19-13-6-4-12(5-7-13)10-17(25)21-22-18(26)16-8-9-24(23-16)15-3-1-2-14(20)11-15/h1-9,11H,10H2,(H,21,25)(H,22,26)
InChIKeyVBHHPLJYAVLQDW-UHFFFAOYSA-N
XLogP2.15
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 52.15
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

1-phenyl-N'-(2-phenylacetyl)pyrazole-3-carbohydrazide
CID 46450468
N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide
CID 47896374
1-(3-fluorophenyl)-N-[4-(phenylcarbamoylamino)phenyl]pyrazole-3-carboxamide
CID 47882488
1-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]-N-methylpyrazole-3-carboxamide
CID 86844397
1-(3-fluorophenyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 47849771
1-(3-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)pyrazole-3-carboxamide
CID 111480306
1-(3-fluorophenyl)-N-(2-piperidin-1-ylethyl)pyrazole-3-carboxamide
CID 47855978
N-[3-(cyclohexylamino)-3-oxopropyl]-1-(3-fluorophenyl)pyrazole-3-carboxamide
CID 47894388
1-(3-fluorophenyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyrazole-3-carboxamide
CID 47882197
2-(3-fluorophenyl)-N-[2-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-2-oxoethyl]acetamide
CID 55789223
prop-2-enyl 1-(3-fluorophenyl)pyrazole-3-carboxylate
CID 86846505
(4-benzylpiperazin-1-yl)-[1-(3-fluorophenyl)pyrazol-3-yl]methanone
CID 47844771

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]pyrazole-3-carbohydrazide?
The IUPAC name of 1-(3-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]pyrazole-3-carbohydrazide (CID 47879002) is 1-(3-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]pyrazole-3-carbohydrazide.
What is the SMILES notation for 1-(3-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]pyrazole-3-carbohydrazide?
The canonical SMILES for 1-(3-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]pyrazole-3-carbohydrazide is O=C(Cc1ccc(F)cc1)NNC(=O)c1ccn(-c2cccc(F)c2)n1.
What is the InChIKey of 1-(3-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]pyrazole-3-carbohydrazide?
The InChIKey is VBHHPLJYAVLQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O2/c19-13-6-4-12(5-7-13)10-17(25)21-22-18(26)16-8-9-24(23-16)15-3-1-2-14(20)11-15/h1-9,11H,10H2,(H,21,25)(H,22,26).
What are the key properties of 1-(3-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]pyrazole-3-carbohydrazide?
1-(3-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]pyrazole-3-carbohydrazide has a molecular weight of 356.33 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]pyrazole-3-carbohydrazide is sourced from PubChem (CID 47879002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).