N-(2-fluorophenyl)-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide

C21H15FN4O — CID 58302741

IUPACN-(2-fluorophenyl)-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide
SMILESO=C(Nc1ccccc1F)c1cccc(-c2[nH]ncc2-c2ccncc2)c1
InChIInChI=1S/C21H15FN4O/c22-18-6-1-2-7-19(18)25-21(27)16-5-3-4-15(12-16)20-17(13-24-26-20)14-8-10-23-11-9-14/h1-13H,(H,24,26)(H,25,27)
InChIKeyIQPYPSOKLLYTON-UHFFFAOYSA-N
MW358.38 g/mol
LogP4.53
Rot. Bonds4

About N-(2-fluorophenyl)-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide

N-(2-fluorophenyl)-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide (PubChem CID 58302741) has the molecular formula C21H15FN4O and a molecular weight of 358.38 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide
PubChem CID58302741
Molecular FormulaC21H15FN4O
Molecular Weight358.38 g/mol
Exact Mass358.12
IUPAC NameN-(2-fluorophenyl)-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide
SMILESO=C(Nc1ccccc1F)c1cccc(-c2[nH]ncc2-c2ccncc2)c1
InChIInChI=1S/C21H15FN4O/c22-18-6-1-2-7-19(18)25-21(27)16-5-3-4-15(12-16)20-17(13-24-26-20)14-8-10-23-11-9-14/h1-13H,(H,24,26)(H,25,27)
InChIKeyIQPYPSOKLLYTON-UHFFFAOYSA-N
XLogP4.53
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide
CID 44622677
N-propyl-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide
CID 58302750
N-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]pyridine-2-carboxamide
CID 67188011
4-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]pyridine
CID 22037203
1-methyl-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea
CID 67185993
3-N-(2-fluorophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055208
N-(2-fluorophenyl)isoquinoline-6-carboxamide
CID 110485150
3-N-(2,6-difluorophenyl)-1-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
CID 109057449
1-(4-tert-butylphenyl)-3-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]urea
CID 44621736
N-[4-[[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]sulfamoyl]phenyl]acetamide
CID 67184113
N-[3-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 67184873
N-(2,3-difluorophenyl)pyridine-4-carboxamide
CID 47450883

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide?
The IUPAC name of N-(2-fluorophenyl)-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide (CID 58302741) is N-(2-fluorophenyl)-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide?
The canonical SMILES for N-(2-fluorophenyl)-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide is O=C(Nc1ccccc1F)c1cccc(-c2[nH]ncc2-c2ccncc2)c1.
What is the InChIKey of N-(2-fluorophenyl)-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide?
The InChIKey is IQPYPSOKLLYTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4O/c22-18-6-1-2-7-19(18)25-21(27)16-5-3-4-15(12-16)20-17(13-24-26-20)14-8-10-23-11-9-14/h1-13H,(H,24,26)(H,25,27).
What are the key properties of N-(2-fluorophenyl)-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide?
N-(2-fluorophenyl)-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide has a molecular weight of 358.38 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 58302741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).