5-(4-fluorophenyl)-N-(2-fluoro-4-pyridinyl)-1,4-dimethylpyrazole-3-carboxamide

C17H14F2N4O — CID 71580234

IUPAC5-(4-fluorophenyl)-N-(2-fluoro-4-pyridinyl)-1,4-dimethylpyrazole-3-carboxamide
SMILESCc1c(C(=O)Nc2ccnc(F)c2)nn(C)c1-c1ccc(F)cc1
InChIInChI=1S/C17H14F2N4O/c1-10-15(17(24)21-13-7-8-20-14(19)9-13)22-23(2)16(10)11-3-5-12(18)6-4-11/h3-9H,1-2H3,(H,20,21,24)
InChIKeyXATJWBSAQYSZGF-UHFFFAOYSA-N
MW328.32 g/mol
LogP3.32
Rot. Bonds3

About 5-(4-fluorophenyl)-N-(2-fluoro-4-pyridinyl)-1,4-dimethylpyrazole-3-carboxamide

5-(4-fluorophenyl)-N-(2-fluoro-4-pyridinyl)-1,4-dimethylpyrazole-3-carboxamide (PubChem CID 71580234) has the molecular formula C17H14F2N4O and a molecular weight of 328.32 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(2-fluoro-4-pyridinyl)-1,4-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(2-fluoro-4-pyridinyl)-1,4-dimethylpyrazole-3-carboxamide
PubChem CID71580234
Molecular FormulaC17H14F2N4O
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Name5-(4-fluorophenyl)-N-(2-fluoro-4-pyridinyl)-1,4-dimethylpyrazole-3-carboxamide
SMILESCc1c(C(=O)Nc2ccnc(F)c2)nn(C)c1-c1ccc(F)cc1
InChIInChI=1S/C17H14F2N4O/c1-10-15(17(24)21-13-7-8-20-14(19)9-13)22-23(2)16(10)11-3-5-12(18)6-4-11/h3-9H,1-2H3,(H,20,21,24)
InChIKeyXATJWBSAQYSZGF-UHFFFAOYSA-N
XLogP3.32
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(2-fluoro-4-pyridinyl)-1,4-dimethylpyrazole-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-(2-fluoro-4-pyridinyl)-1,4-dimethylpyrazole-3-carboxamide (CID 71580234) is 5-(4-fluorophenyl)-N-(2-fluoro-4-pyridinyl)-1,4-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(2-fluoro-4-pyridinyl)-1,4-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-(2-fluoro-4-pyridinyl)-1,4-dimethylpyrazole-3-carboxamide is Cc1c(C(=O)Nc2ccnc(F)c2)nn(C)c1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(2-fluoro-4-pyridinyl)-1,4-dimethylpyrazole-3-carboxamide?
The InChIKey is XATJWBSAQYSZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O/c1-10-15(17(24)21-13-7-8-20-14(19)9-13)22-23(2)16(10)11-3-5-12(18)6-4-11/h3-9H,1-2H3,(H,20,21,24).
What are the key properties of 5-(4-fluorophenyl)-N-(2-fluoro-4-pyridinyl)-1,4-dimethylpyrazole-3-carboxamide?
5-(4-fluorophenyl)-N-(2-fluoro-4-pyridinyl)-1,4-dimethylpyrazole-3-carboxamide has a molecular weight of 328.32 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-(2-fluoro-4-pyridinyl)-1,4-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 71580234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).