2,6-difluoro-N-[(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)methyl]benzamide

C27H19F2N3O — CID 4564606

IUPAC2,6-difluoro-N-[(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)methyl]benzamide
SMILESO=C(NCc1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1)c1c(F)cccc1F
InChIInChI=1S/C27H19F2N3O/c28-23-11-6-12-24(29)25(23)27(33)30-16-21-17-32(22-9-2-1-3-10-22)31-26(21)20-14-13-18-7-4-5-8-19(18)15-20/h1-15,17H,16H2,(H,30,33)
InChIKeyCFUGNRCXANORIP-UHFFFAOYSA-N
MW439.47 g/mol
LogP5.90
Rot. Bonds5

About 2,6-difluoro-N-[(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)methyl]benzamide

2,6-difluoro-N-[(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)methyl]benzamide (PubChem CID 4564606) has the molecular formula C27H19F2N3O and a molecular weight of 439.47 g/mol. Its IUPAC name is 2,6-difluoro-N-[(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)methyl]benzamide
PubChem CID4564606
Molecular FormulaC27H19F2N3O
Molecular Weight439.47 g/mol
Exact Mass439.15
IUPAC Name2,6-difluoro-N-[(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)methyl]benzamide
SMILESO=C(NCc1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1)c1c(F)cccc1F
InChIInChI=1S/C27H19F2N3O/c28-23-11-6-12-24(29)25(23)27(33)30-16-21-17-32(22-9-2-1-3-10-22)31-26(21)20-14-13-18-7-4-5-8-19(18)15-20/h1-15,17H,16H2,(H,30,33)
InChIKeyCFUGNRCXANORIP-UHFFFAOYSA-N
XLogP5.90
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.47
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)acetic acid
CID 20542687
3-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 29214008
3-fluoro-N-[2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-2-oxoethyl]benzamide
CID 24551889
N-[[3-(4-fluoro-3-methylphenyl)-1-phenylpyrazol-4-yl]methyl]-3-methyl-1-benzofuran-2-carboxamide
CID 155943122
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 18228691
4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide
CID 19290337
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-nitrobenzamide
CID 24516164
N-[(1,3-diphenylpyrazol-4-yl)methyl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide
CID 19288831
3-(1,3-dioxoisoindol-2-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide
CID 19288807
3-ethyl-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 8589814
N-[(2-fluorophenyl)methyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 8871062
2-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-methylsulfanylbenzamide
CID 19288805

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)methyl]benzamide (CID 4564606) is 2,6-difluoro-N-[(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)methyl]benzamide is O=C(NCc1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)methyl]benzamide?
The InChIKey is CFUGNRCXANORIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F2N3O/c28-23-11-6-12-24(29)25(23)27(33)30-16-21-17-32(22-9-2-1-3-10-22)31-26(21)20-14-13-18-7-4-5-8-19(18)15-20/h1-15,17H,16H2,(H,30,33).
What are the key properties of 2,6-difluoro-N-[(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)methyl]benzamide?
2,6-difluoro-N-[(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)methyl]benzamide has a molecular weight of 439.47 g/mol, XLogP of 5.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 4564606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).