N-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]benzamide

C22H17FN4O — CID 90465183

IUPACN-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]benzamide
SMILESCn1cc(-c2ccnc(NC(=O)c3ccccc3)c2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C22H17FN4O/c1-27-14-19(21(26-27)15-7-9-18(23)10-8-15)17-11-12-24-20(13-17)25-22(28)16-5-3-2-4-6-16/h2-14H,1H3,(H,24,25,28)
InChIKeyJPZIBJUVECBYOC-UHFFFAOYSA-N
MW372.40 g/mol
LogP4.54
Rot. Bonds4

About N-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]benzamide

N-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]benzamide (PubChem CID 90465183) has the molecular formula C22H17FN4O and a molecular weight of 372.40 g/mol. Its IUPAC name is N-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]benzamide
PubChem CID90465183
Molecular FormulaC22H17FN4O
Molecular Weight372.40 g/mol
Exact Mass372.14
IUPAC NameN-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]benzamide
SMILESCn1cc(-c2ccnc(NC(=O)c3ccccc3)c2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C22H17FN4O/c1-27-14-19(21(26-27)15-7-9-18(23)10-8-15)17-11-12-24-20(13-17)25-22(28)16-5-3-2-4-6-16/h2-14H,1H3,(H,24,25,28)
InChIKeyJPZIBJUVECBYOC-UHFFFAOYSA-N
XLogP4.54
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]benzamide?
The IUPAC name of N-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]benzamide (CID 90465183) is N-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for N-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]benzamide?
The canonical SMILES for N-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]benzamide is Cn1cc(-c2ccnc(NC(=O)c3ccccc3)c2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]benzamide?
The InChIKey is JPZIBJUVECBYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O/c1-27-14-19(21(26-27)15-7-9-18(23)10-8-15)17-11-12-24-20(13-17)25-22(28)16-5-3-2-4-6-16/h2-14H,1H3,(H,24,25,28).
What are the key properties of N-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]benzamide?
N-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]benzamide has a molecular weight of 372.40 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 90465183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).