3,4-difluoro-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]benzamide

C23H17F2N3O2 — CID 46088018

IUPAC3,4-difluoro-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]benzamide
SMILESCOc1ccc(-n2nc(-c3ccccc3)cc2NC(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C23H17F2N3O2/c1-30-18-10-8-17(9-11-18)28-22(14-21(27-28)15-5-3-2-4-6-15)26-23(29)16-7-12-19(24)20(25)13-16/h2-14H,1H3,(H,26,29)
InChIKeyQJVOBBMUOUEVFW-UHFFFAOYSA-N
MW405.40 g/mol
LogP5.08
Rot. Bonds5

About 3,4-difluoro-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]benzamide

3,4-difluoro-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]benzamide (PubChem CID 46088018) has the molecular formula C23H17F2N3O2 and a molecular weight of 405.40 g/mol. Its IUPAC name is 3,4-difluoro-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]benzamide
PubChem CID46088018
Molecular FormulaC23H17F2N3O2
Molecular Weight405.40 g/mol
Exact Mass405.13
IUPAC Name3,4-difluoro-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]benzamide
SMILESCOc1ccc(-n2nc(-c3ccccc3)cc2NC(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C23H17F2N3O2/c1-30-18-10-8-17(9-11-18)28-22(14-21(27-28)15-5-3-2-4-6-15)26-23(29)16-7-12-19(24)20(25)13-16/h2-14H,1H3,(H,26,29)
InChIKeyQJVOBBMUOUEVFW-UHFFFAOYSA-N
XLogP5.08
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.40
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-{[1-(4-methoxyphenyl)-3-methyl-1H-pyrazol-5-yl]amino}benzoic acid
CID 2727739
N-[1-(4-fluorobenzyl)-3-methyl-1H-pyrazol-5-yl]-3-methoxybenzamide
CID 1509647
4-methoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
CID 2352142
2,3-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 2353715
3,5-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 2359886
4-methoxy-N-(3-phenyl-1H-pyrazol-5-yl)benzamide
CID 819077
N-(1,3-diphenyl-1H-pyrazol-5-yl)-3-methoxybenzamide
CID 11710424
4-{2-[(4-fluorobenzyl)oxy]phenyl}-1-(4-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135653065
4-{2-[(2-fluorobenzyl)oxy]phenyl}-1-(4-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135653291
2-(4-Methoxyphenyl)-4-(5-methyl-1H-pyrazol-3-ylamino)-2Hphthalazin-1-one
CID 11537541
5-methoxy-2-(3-methyl-1-o-tolyl-4-p-tolyl-1H-pyrazol-5-ylamino)benzoic acid
CID 52942696
2-(4-(4-fluorophenyl)-3-methyl-1-o-tolyl-1H-pyrazol-5-ylamino)-5-methoxybenzoic acid
CID 52943163

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]benzamide?
The IUPAC name of 3,4-difluoro-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]benzamide (CID 46088018) is 3,4-difluoro-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]benzamide is COc1ccc(-n2nc(-c3ccccc3)cc2NC(=O)c2ccc(F)c(F)c2)cc1.
What is the InChIKey of 3,4-difluoro-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]benzamide?
The InChIKey is QJVOBBMUOUEVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N3O2/c1-30-18-10-8-17(9-11-18)28-22(14-21(27-28)15-5-3-2-4-6-15)26-23(29)16-7-12-19(24)20(25)13-16/h2-14H,1H3,(H,26,29).
What are the key properties of 3,4-difluoro-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]benzamide?
3,4-difluoro-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]benzamide has a molecular weight of 405.40 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]benzamide is sourced from PubChem (CID 46088018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).