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

C17H14F2N4O — CID 71580229

IUPAC5-(4-fluorophenyl)-N-(5-fluoro-2-pyridinyl)-1,4-dimethylpyrazole-3-carboxamide
SMILESCc1c(C(=O)Nc2ccc(F)cn2)nn(C)c1-c1ccc(F)cc1
InChIInChI=1S/C17H14F2N4O/c1-10-15(17(24)21-14-8-7-13(19)9-20-14)22-23(2)16(10)11-3-5-12(18)6-4-11/h3-9H,1-2H3,(H,20,21,24)
InChIKeyRSJMPFBXAJJTAZ-UHFFFAOYSA-N
MW328.32 g/mol
LogP3.32
Rot. Bonds3

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

5-(4-fluorophenyl)-N-(5-fluoro-2-pyridinyl)-1,4-dimethylpyrazole-3-carboxamide (PubChem CID 71580229) has the molecular formula C17H14F2N4O and a molecular weight of 328.32 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(5-fluoro-2-pyridinyl)-1,4-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(5-fluoro-2-pyridinyl)-1,4-dimethylpyrazole-3-carboxamide
PubChem CID71580229
Molecular FormulaC17H14F2N4O
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Name5-(4-fluorophenyl)-N-(5-fluoro-2-pyridinyl)-1,4-dimethylpyrazole-3-carboxamide
SMILESCc1c(C(=O)Nc2ccc(F)cn2)nn(C)c1-c1ccc(F)cc1
InChIInChI=1S/C17H14F2N4O/c1-10-15(17(24)21-14-8-7-13(19)9-20-14)22-23(2)16(10)11-3-5-12(18)6-4-11/h3-9H,1-2H3,(H,20,21,24)
InChIKeyRSJMPFBXAJJTAZ-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

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Related Compounds

CID 146014965
CID 146014965
CID 146014966
CID 146014966
CID 6539313
CID 6539313
CID 11155477
CID 11155477
CID 53328249
CID 53328249
CID 58548263
CID 58548263
CID 58548296
CID 58548296
CID 84973158
CID 84973158
CID 84973159
CID 84973159
CID 10647621
CID 10647621
CID 10718220
CID 10718220
CID 11705035
CID 11705035

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(5-fluoro-2-pyridinyl)-1,4-dimethylpyrazole-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-(5-fluoro-2-pyridinyl)-1,4-dimethylpyrazole-3-carboxamide (CID 71580229) is 5-(4-fluorophenyl)-N-(5-fluoro-2-pyridinyl)-1,4-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(5-fluoro-2-pyridinyl)-1,4-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-(5-fluoro-2-pyridinyl)-1,4-dimethylpyrazole-3-carboxamide is Cc1c(C(=O)Nc2ccc(F)cn2)nn(C)c1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(5-fluoro-2-pyridinyl)-1,4-dimethylpyrazole-3-carboxamide?
The InChIKey is RSJMPFBXAJJTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O/c1-10-15(17(24)21-14-8-7-13(19)9-20-14)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-(5-fluoro-2-pyridinyl)-1,4-dimethylpyrazole-3-carboxamide?
5-(4-fluorophenyl)-N-(5-fluoro-2-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-(5-fluoro-2-pyridinyl)-1,4-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 71580229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).