1,4-bis(3-fluorophenyl)-3-pyridin-4-ylpyrazole-5-carboxamide

C21H14F2N4O — CID 175497585

IUPAC1,4-bis(3-fluorophenyl)-3-pyridin-4-ylpyrazole-5-carboxamide
SMILESNC(=O)c1c(-c2cccc(F)c2)c(-c2ccncc2)nn1-c1cccc(F)c1
InChIInChI=1S/C21H14F2N4O/c22-15-4-1-3-14(11-15)18-19(13-7-9-25-10-8-13)26-27(20(18)21(24)28)17-6-2-5-16(23)12-17/h1-12H,(H2,24,28)
InChIKeyIQUGFBGOOWCTLP-UHFFFAOYSA-N
MW376.37 g/mol
LogP3.98
Rot. Bonds4

About 1,4-bis(3-fluorophenyl)-3-pyridin-4-ylpyrazole-5-carboxamide

1,4-bis(3-fluorophenyl)-3-pyridin-4-ylpyrazole-5-carboxamide (PubChem CID 175497585) has the molecular formula C21H14F2N4O and a molecular weight of 376.37 g/mol. Its IUPAC name is 1,4-bis(3-fluorophenyl)-3-pyridin-4-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1,4-bis(3-fluorophenyl)-3-pyridin-4-ylpyrazole-5-carboxamide
PubChem CID175497585
Molecular FormulaC21H14F2N4O
Molecular Weight376.37 g/mol
Exact Mass376.11
IUPAC Name1,4-bis(3-fluorophenyl)-3-pyridin-4-ylpyrazole-5-carboxamide
SMILESNC(=O)c1c(-c2cccc(F)c2)c(-c2ccncc2)nn1-c1cccc(F)c1
InChIInChI=1S/C21H14F2N4O/c22-15-4-1-3-14(11-15)18-19(13-7-9-25-10-8-13)26-27(20(18)21(24)28)17-6-2-5-16(23)12-17/h1-12H,(H2,24,28)
InChIKeyIQUGFBGOOWCTLP-UHFFFAOYSA-N
XLogP3.98
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(3-fluorophenyl)-3-pyridin-4-ylpyrazole-5-carboxamide?
The IUPAC name of 1,4-bis(3-fluorophenyl)-3-pyridin-4-ylpyrazole-5-carboxamide (CID 175497585) is 1,4-bis(3-fluorophenyl)-3-pyridin-4-ylpyrazole-5-carboxamide.
What is the SMILES notation for 1,4-bis(3-fluorophenyl)-3-pyridin-4-ylpyrazole-5-carboxamide?
The canonical SMILES for 1,4-bis(3-fluorophenyl)-3-pyridin-4-ylpyrazole-5-carboxamide is NC(=O)c1c(-c2cccc(F)c2)c(-c2ccncc2)nn1-c1cccc(F)c1.
What is the InChIKey of 1,4-bis(3-fluorophenyl)-3-pyridin-4-ylpyrazole-5-carboxamide?
The InChIKey is IQUGFBGOOWCTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N4O/c22-15-4-1-3-14(11-15)18-19(13-7-9-25-10-8-13)26-27(20(18)21(24)28)17-6-2-5-16(23)12-17/h1-12H,(H2,24,28).
What are the key properties of 1,4-bis(3-fluorophenyl)-3-pyridin-4-ylpyrazole-5-carboxamide?
1,4-bis(3-fluorophenyl)-3-pyridin-4-ylpyrazole-5-carboxamide has a molecular weight of 376.37 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(3-fluorophenyl)-3-pyridin-4-ylpyrazole-5-carboxamide is sourced from PubChem (CID 175497585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).