N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-6-methylpyridine-3-carboxamide

C23H19FN4O — CID 46511717

IUPACN-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cn1
InChIInChI=1S/C23H19FN4O/c1-16-7-8-18(13-25-16)23(29)26-14-19-15-28(21-5-3-2-4-6-21)27-22(19)17-9-11-20(24)12-10-17/h2-13,15H,14H2,1H3,(H,26,29)
InChIKeyWABFMYCIQAFFIV-UHFFFAOYSA-N
MW386.43 g/mol
LogP4.31
Rot. Bonds5

About N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-6-methylpyridine-3-carboxamide

N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-6-methylpyridine-3-carboxamide (PubChem CID 46511717) has the molecular formula C23H19FN4O and a molecular weight of 386.43 g/mol. Its IUPAC name is N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-6-methylpyridine-3-carboxamide
PubChem CID46511717
Molecular FormulaC23H19FN4O
Molecular Weight386.43 g/mol
Exact Mass386.15
IUPAC NameN-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cn1
InChIInChI=1S/C23H19FN4O/c1-16-7-8-18(13-25-16)23(29)26-14-19-15-28(21-5-3-2-4-6-21)27-22(19)17-9-11-20(24)12-10-17/h2-13,15H,14H2,1H3,(H,26,29)
InChIKeyWABFMYCIQAFFIV-UHFFFAOYSA-N
XLogP4.31
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-ethylpyrazole-4-carboxamide
CID 19281007
3-fluoro-N-[2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-2-oxoethyl]benzamide
CID 24551889
4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide
CID 19290337
2-(5-acetyl-2-methoxyphenyl)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]acetamide
CID 24504119
3-ethyl-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 8589814
4-[(E)-3-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 46557225
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 18228691
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-nitrobenzamide
CID 24516164
N-[(1,3-diphenylpyrazol-4-yl)methyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 24606874
N-[(4-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide
CID 18148195
N-[2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
CID 42889854
2-ethoxy-N-[2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-2-oxoethyl]benzamide
CID 24551887

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-6-methylpyridine-3-carboxamide (CID 46511717) is N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cn1.
What is the InChIKey of N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-6-methylpyridine-3-carboxamide?
The InChIKey is WABFMYCIQAFFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O/c1-16-7-8-18(13-25-16)23(29)26-14-19-15-28(21-5-3-2-4-6-21)27-22(19)17-9-11-20(24)12-10-17/h2-13,15H,14H2,1H3,(H,26,29).
What are the key properties of N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-6-methylpyridine-3-carboxamide?
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-6-methylpyridine-3-carboxamide has a molecular weight of 386.43 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 46511717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).