1-(4-fluorophenyl)-3,5-dimethyl-4-(3-nitrophenyl)pyrazole

C17H14FN3O2 — CID 764514

IUPAC1-(4-fluorophenyl)-3,5-dimethyl-4-(3-nitrophenyl)pyrazole
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H14FN3O2/c1-11-17(13-4-3-5-16(10-13)21(22)23)12(2)20(19-11)15-8-6-14(18)7-9-15/h3-10H,1-2H3
InChIKeyRQFQVOZIOOECDN-UHFFFAOYSA-N
MW311.32 g/mol
LogP4.20
Rot. Bonds3

About 1-(4-fluorophenyl)-3,5-dimethyl-4-(3-nitrophenyl)pyrazole

1-(4-fluorophenyl)-3,5-dimethyl-4-(3-nitrophenyl)pyrazole (PubChem CID 764514) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3,5-dimethyl-4-(3-nitrophenyl)pyrazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3,5-dimethyl-4-(3-nitrophenyl)pyrazole
PubChem CID764514
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC Name1-(4-fluorophenyl)-3,5-dimethyl-4-(3-nitrophenyl)pyrazole
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H14FN3O2/c1-11-17(13-4-3-5-16(10-13)21(22)23)12(2)20(19-11)15-8-6-14(18)7-9-15/h3-10H,1-2H3
InChIKeyRQFQVOZIOOECDN-UHFFFAOYSA-N
XLogP4.20
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3,5-dimethyl-4-(3-nitrophenyl)pyrazole?
The IUPAC name of 1-(4-fluorophenyl)-3,5-dimethyl-4-(3-nitrophenyl)pyrazole (CID 764514) is 1-(4-fluorophenyl)-3,5-dimethyl-4-(3-nitrophenyl)pyrazole.
What is the SMILES notation for 1-(4-fluorophenyl)-3,5-dimethyl-4-(3-nitrophenyl)pyrazole?
The canonical SMILES for 1-(4-fluorophenyl)-3,5-dimethyl-4-(3-nitrophenyl)pyrazole is Cc1nn(-c2ccc(F)cc2)c(C)c1-c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 1-(4-fluorophenyl)-3,5-dimethyl-4-(3-nitrophenyl)pyrazole?
The InChIKey is RQFQVOZIOOECDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c1-11-17(13-4-3-5-16(10-13)21(22)23)12(2)20(19-11)15-8-6-14(18)7-9-15/h3-10H,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-3,5-dimethyl-4-(3-nitrophenyl)pyrazole?
1-(4-fluorophenyl)-3,5-dimethyl-4-(3-nitrophenyl)pyrazole has a molecular weight of 311.32 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3,5-dimethyl-4-(3-nitrophenyl)pyrazole is sourced from PubChem (CID 764514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).