3-(difluoromethoxy)-N-(1H-pyrazol-4-ylmethyl)benzamide

C12H11F2N3O2 — CID 60736173

IUPAC3-(difluoromethoxy)-N-(1H-pyrazol-4-ylmethyl)benzamide
SMILESO=C(NCc1cn[nH]c1)c1cccc(OC(F)F)c1
InChIInChI=1S/C12H11F2N3O2/c13-12(14)19-10-3-1-2-9(4-10)11(18)15-5-8-6-16-17-7-8/h1-4,6-7,12H,5H2,(H,15,18)(H,16,17)
InChIKeyHRMLTCSGOSAUDG-UHFFFAOYSA-N
MW267.24 g/mol
LogP1.94
Rot. Bonds5

About 3-(difluoromethoxy)-N-(1H-pyrazol-4-ylmethyl)benzamide

3-(difluoromethoxy)-N-(1H-pyrazol-4-ylmethyl)benzamide (PubChem CID 60736173) has the molecular formula C12H11F2N3O2 and a molecular weight of 267.24 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-(1H-pyrazol-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-(1H-pyrazol-4-ylmethyl)benzamide
PubChem CID60736173
Molecular FormulaC12H11F2N3O2
Molecular Weight267.24 g/mol
Exact Mass267.08
IUPAC Name3-(difluoromethoxy)-N-(1H-pyrazol-4-ylmethyl)benzamide
SMILESO=C(NCc1cn[nH]c1)c1cccc(OC(F)F)c1
InChIInChI=1S/C12H11F2N3O2/c13-12(14)19-10-3-1-2-9(4-10)11(18)15-5-8-6-16-17-7-8/h1-4,6-7,12H,5H2,(H,15,18)(H,16,17)
InChIKeyHRMLTCSGOSAUDG-UHFFFAOYSA-N
XLogP1.94
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-propoxy-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60968015
N-[(4-chlorophenyl)methyl]-3-(difluoromethoxy)benzamide
CID 2092118
3-(3-hydroxyprop-1-ynyl)-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 54982421
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(difluoromethoxy)benzamide
CID 118775393
3-(difluoromethoxy)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide
CID 55735183
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(difluoromethoxy)benzamide
CID 55749833
3-(difluoromethoxy)-N-(thiophen-2-ylmethyl)benzamide
CID 2675191
3,4,5-trifluoro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 63186396
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(difluoromethoxy)benzamide
CID 19296446
N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
CID 60755457
N-(3,3-difluoro-2-hydroxypropyl)-3-(difluoromethoxy)benzamide
CID 103769717
3,5-diamino-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 61138669

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-(1H-pyrazol-4-ylmethyl)benzamide?
The IUPAC name of 3-(difluoromethoxy)-N-(1H-pyrazol-4-ylmethyl)benzamide (CID 60736173) is 3-(difluoromethoxy)-N-(1H-pyrazol-4-ylmethyl)benzamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-(1H-pyrazol-4-ylmethyl)benzamide?
The canonical SMILES for 3-(difluoromethoxy)-N-(1H-pyrazol-4-ylmethyl)benzamide is O=C(NCc1cn[nH]c1)c1cccc(OC(F)F)c1.
What is the InChIKey of 3-(difluoromethoxy)-N-(1H-pyrazol-4-ylmethyl)benzamide?
The InChIKey is HRMLTCSGOSAUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O2/c13-12(14)19-10-3-1-2-9(4-10)11(18)15-5-8-6-16-17-7-8/h1-4,6-7,12H,5H2,(H,15,18)(H,16,17).
What are the key properties of 3-(difluoromethoxy)-N-(1H-pyrazol-4-ylmethyl)benzamide?
3-(difluoromethoxy)-N-(1H-pyrazol-4-ylmethyl)benzamide has a molecular weight of 267.24 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-(1H-pyrazol-4-ylmethyl)benzamide is sourced from PubChem (CID 60736173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).