2-(difluoromethoxy)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide

C16H13F2N3O2S — CID 156574627

IUPAC2-(difluoromethoxy)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide
SMILESO=C(NCc1cc(-c2cccs2)n[nH]1)c1ccccc1OC(F)F
InChIInChI=1S/C16H13F2N3O2S/c17-16(18)23-13-5-2-1-4-11(13)15(22)19-9-10-8-12(21-20-10)14-6-3-7-24-14/h1-8,16H,9H2,(H,19,22)(H,20,21)
InChIKeyXTWHTERDHPQEKP-UHFFFAOYSA-N
MW349.36 g/mol
LogP3.67
Rot. Bonds6

About 2-(difluoromethoxy)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide

2-(difluoromethoxy)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide (PubChem CID 156574627) has the molecular formula C16H13F2N3O2S and a molecular weight of 349.36 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide
PubChem CID156574627
Molecular FormulaC16H13F2N3O2S
Molecular Weight349.36 g/mol
Exact Mass349.07
IUPAC Name2-(difluoromethoxy)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide
SMILESO=C(NCc1cc(-c2cccs2)n[nH]1)c1ccccc1OC(F)F
InChIInChI=1S/C16H13F2N3O2S/c17-16(18)23-13-5-2-1-4-11(13)15(22)19-9-10-8-12(21-20-10)14-6-3-7-24-14/h1-8,16H,9H2,(H,19,22)(H,20,21)
InChIKeyXTWHTERDHPQEKP-UHFFFAOYSA-N
XLogP3.67
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide?
The IUPAC name of 2-(difluoromethoxy)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide (CID 156574627) is 2-(difluoromethoxy)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide is O=C(NCc1cc(-c2cccs2)n[nH]1)c1ccccc1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide?
The InChIKey is XTWHTERDHPQEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O2S/c17-16(18)23-13-5-2-1-4-11(13)15(22)19-9-10-8-12(21-20-10)14-6-3-7-24-14/h1-8,16H,9H2,(H,19,22)(H,20,21).
What are the key properties of 2-(difluoromethoxy)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide?
2-(difluoromethoxy)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide has a molecular weight of 349.36 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]benzamide is sourced from PubChem (CID 156574627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).