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

C24H21FN4O — CID 90465352

IUPACN-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]benzamide
SMILESCC(C)n1cc(-c2ccnc(NC(=O)c3ccccc3)c2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C24H21FN4O/c1-16(2)29-15-21(23(28-29)17-8-10-20(25)11-9-17)19-12-13-26-22(14-19)27-24(30)18-6-4-3-5-7-18/h3-16H,1-2H3,(H,26,27,30)
InChIKeyBQXGSSYHQNMACI-UHFFFAOYSA-N
MW400.46 g/mol
LogP5.58
Rot. Bonds5

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

N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]benzamide (PubChem CID 90465352) has the molecular formula C24H21FN4O and a molecular weight of 400.46 g/mol. Its IUPAC name is N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]benzamide
PubChem CID90465352
Molecular FormulaC24H21FN4O
Molecular Weight400.46 g/mol
Exact Mass400.17
IUPAC NameN-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]benzamide
SMILESCC(C)n1cc(-c2ccnc(NC(=O)c3ccccc3)c2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C24H21FN4O/c1-16(2)29-15-21(23(28-29)17-8-10-20(25)11-9-17)19-12-13-26-22(14-19)27-24(30)18-6-4-3-5-7-18/h3-16H,1-2H3,(H,26,27,30)
InChIKeyBQXGSSYHQNMACI-UHFFFAOYSA-N
XLogP5.58
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.46
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]benzamide
CID 90465183
N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]acetamide
CID 90465331
N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide
CID 67107014
4-(4-fluorophenyl)-3-phenyl-1-propan-2-ylpyrazole
CID 142646887
N-[4-[1-(1-cyanopropan-2-yl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]propanamide
CID 90465344
N-[4-[1-(1-cyanopropan-2-yl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide
CID 90465219
N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]-2-methylpropanamide
CID 90465258
3-(difluoromethyl)-N-[4-[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-1-methylpyrazole-4-carboxamide
CID 90465355
4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-(4-methylimidazol-1-yl)pyridine
CID 90465146
N-[4-[1-(2,2-difluoroethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-2-pyridinyl]-2-methoxyacetamide
CID 90465277
N-[4-[3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]-2-pyridinyl]propanamide
CID 67073655
N-[4-(4-cyanophenyl)-2-pyridinyl]benzamide
CID 155673932

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]benzamide?
The IUPAC name of N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]benzamide (CID 90465352) is N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]benzamide?
The canonical SMILES for N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]benzamide is CC(C)n1cc(-c2ccnc(NC(=O)c3ccccc3)c2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]benzamide?
The InChIKey is BQXGSSYHQNMACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O/c1-16(2)29-15-21(23(28-29)17-8-10-20(25)11-9-17)19-12-13-26-22(14-19)27-24(30)18-6-4-3-5-7-18/h3-16H,1-2H3,(H,26,27,30).
What are the key properties of N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]benzamide?
N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]benzamide has a molecular weight of 400.46 g/mol, XLogP of 5.58, 5 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-propan-2-ylpyrazol-4-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 90465352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).