1-(4-fluorophenyl)-N-(6-methyl-2-pyridinyl)-5-pyridin-3-ylpyrazole-3-carboxamide

C21H16FN5O — CID 53067736

IUPAC1-(4-fluorophenyl)-N-(6-methyl-2-pyridinyl)-5-pyridin-3-ylpyrazole-3-carboxamide
SMILESCc1cccc(NC(=O)c2cc(-c3cccnc3)n(-c3ccc(F)cc3)n2)n1
InChIInChI=1S/C21H16FN5O/c1-14-4-2-6-20(24-14)25-21(28)18-12-19(15-5-3-11-23-13-15)27(26-18)17-9-7-16(22)8-10-17/h2-13H,1H3,(H,24,25,28)
InChIKeyWYXXOBJFHOCDKU-UHFFFAOYSA-N
MW373.39 g/mol
LogP4.03
Rot. Bonds4

About 1-(4-fluorophenyl)-N-(6-methyl-2-pyridinyl)-5-pyridin-3-ylpyrazole-3-carboxamide

1-(4-fluorophenyl)-N-(6-methyl-2-pyridinyl)-5-pyridin-3-ylpyrazole-3-carboxamide (PubChem CID 53067736) has the molecular formula C21H16FN5O and a molecular weight of 373.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(6-methyl-2-pyridinyl)-5-pyridin-3-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(6-methyl-2-pyridinyl)-5-pyridin-3-ylpyrazole-3-carboxamide
PubChem CID53067736
Molecular FormulaC21H16FN5O
Molecular Weight373.39 g/mol
Exact Mass373.13
IUPAC Name1-(4-fluorophenyl)-N-(6-methyl-2-pyridinyl)-5-pyridin-3-ylpyrazole-3-carboxamide
SMILESCc1cccc(NC(=O)c2cc(-c3cccnc3)n(-c3ccc(F)cc3)n2)n1
InChIInChI=1S/C21H16FN5O/c1-14-4-2-6-20(24-14)25-21(28)18-12-19(15-5-3-11-23-13-15)27(26-18)17-9-7-16(22)8-10-17/h2-13H,1H3,(H,24,25,28)
InChIKeyWYXXOBJFHOCDKU-UHFFFAOYSA-N
XLogP4.03
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(6-methyl-2-pyridinyl)-5-pyridin-3-ylpyrazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(6-methyl-2-pyridinyl)-5-pyridin-3-ylpyrazole-3-carboxamide (CID 53067736) is 1-(4-fluorophenyl)-N-(6-methyl-2-pyridinyl)-5-pyridin-3-ylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(6-methyl-2-pyridinyl)-5-pyridin-3-ylpyrazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(6-methyl-2-pyridinyl)-5-pyridin-3-ylpyrazole-3-carboxamide is Cc1cccc(NC(=O)c2cc(-c3cccnc3)n(-c3ccc(F)cc3)n2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(6-methyl-2-pyridinyl)-5-pyridin-3-ylpyrazole-3-carboxamide?
The InChIKey is WYXXOBJFHOCDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O/c1-14-4-2-6-20(24-14)25-21(28)18-12-19(15-5-3-11-23-13-15)27(26-18)17-9-7-16(22)8-10-17/h2-13H,1H3,(H,24,25,28).
What are the key properties of 1-(4-fluorophenyl)-N-(6-methyl-2-pyridinyl)-5-pyridin-3-ylpyrazole-3-carboxamide?
1-(4-fluorophenyl)-N-(6-methyl-2-pyridinyl)-5-pyridin-3-ylpyrazole-3-carboxamide has a molecular weight of 373.39 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(6-methyl-2-pyridinyl)-5-pyridin-3-ylpyrazole-3-carboxamide is sourced from PubChem (CID 53067736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).