2,6-difluoro-N-[1-(1-phenylpyrazol-4-yl)pyrazol-4-yl]benzamide

C19H13F2N5O — CID 17088872

IUPAC2,6-difluoro-N-[1-(1-phenylpyrazol-4-yl)pyrazol-4-yl]benzamide
SMILESO=C(Nc1cnn(-c2cnn(-c3ccccc3)c2)c1)c1c(F)cccc1F
InChIInChI=1S/C19H13F2N5O/c20-16-7-4-8-17(21)18(16)19(27)24-13-9-22-25(11-13)15-10-23-26(12-15)14-5-2-1-3-6-14/h1-12H,(H,24,27)
InChIKeyQYKFKYKAOMRVFF-UHFFFAOYSA-N
MW365.34 g/mol
LogP3.59
Rot. Bonds4

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

2,6-difluoro-N-[1-(1-phenylpyrazol-4-yl)pyrazol-4-yl]benzamide (PubChem CID 17088872) has the molecular formula C19H13F2N5O and a molecular weight of 365.34 g/mol. Its IUPAC name is 2,6-difluoro-N-[1-(1-phenylpyrazol-4-yl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[1-(1-phenylpyrazol-4-yl)pyrazol-4-yl]benzamide
PubChem CID17088872
Molecular FormulaC19H13F2N5O
Molecular Weight365.34 g/mol
Exact Mass365.11
IUPAC Name2,6-difluoro-N-[1-(1-phenylpyrazol-4-yl)pyrazol-4-yl]benzamide
SMILESO=C(Nc1cnn(-c2cnn(-c3ccccc3)c2)c1)c1c(F)cccc1F
InChIInChI=1S/C19H13F2N5O/c20-16-7-4-8-17(21)18(16)19(27)24-13-9-22-25(11-13)15-10-23-26(12-15)14-5-2-1-3-6-14/h1-12H,(H,24,27)
InChIKeyQYKFKYKAOMRVFF-UHFFFAOYSA-N
XLogP3.59
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-N-(1-phenylpyrazol-4-yl)pyrazole-4-carboxamide
CID 171981866
N-(1-phenylpyrazol-4-yl)-1H-pyrrole-2-carboxamide
CID 110470884
6-methyl-N-(1-phenylpyrazol-4-yl)pyridine-2-carboxamide
CID 110472220
N-(1-pyridin-4-ylpyrazol-4-yl)benzamide
CID 110471191
N-[1-(3-chlorophenyl)pyrazol-4-yl]benzamide
CID 67287365
5-bromo-N-(1-phenylpyrazol-4-yl)pyridine-2-carboxamide
CID 99816223
5-nitro-N-[1-(1-phenylpyrazol-4-yl)pyrazol-4-yl]-1H-pyrazole-3-carboxamide
CID 135689125
N-(1-phenylpyrazol-4-yl)quinoxaline-2-carboxamide
CID 71884776
2,3-difluoro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 146122367
4-chloro-N-(1-phenylpyrazol-4-yl)-1H-pyrrole-2-carboxamide
CID 86848828
N-(3-fluoro-4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9210715
2-chloro-6-fluoro-N-[1-(2-phenylethyl)pyrazol-4-yl]benzamide
CID 95744763

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[1-(1-phenylpyrazol-4-yl)pyrazol-4-yl]benzamide?
The IUPAC name of 2,6-difluoro-N-[1-(1-phenylpyrazol-4-yl)pyrazol-4-yl]benzamide (CID 17088872) is 2,6-difluoro-N-[1-(1-phenylpyrazol-4-yl)pyrazol-4-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[1-(1-phenylpyrazol-4-yl)pyrazol-4-yl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[1-(1-phenylpyrazol-4-yl)pyrazol-4-yl]benzamide is O=C(Nc1cnn(-c2cnn(-c3ccccc3)c2)c1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[1-(1-phenylpyrazol-4-yl)pyrazol-4-yl]benzamide?
The InChIKey is QYKFKYKAOMRVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N5O/c20-16-7-4-8-17(21)18(16)19(27)24-13-9-22-25(11-13)15-10-23-26(12-15)14-5-2-1-3-6-14/h1-12H,(H,24,27).
What are the key properties of 2,6-difluoro-N-[1-(1-phenylpyrazol-4-yl)pyrazol-4-yl]benzamide?
2,6-difluoro-N-[1-(1-phenylpyrazol-4-yl)pyrazol-4-yl]benzamide has a molecular weight of 365.34 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[1-(1-phenylpyrazol-4-yl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 17088872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).