3-(difluoromethoxy)-N-[(1-ethylpyrazol-4-yl)methyl]benzamide

C14H15F2N3O2 — CID 4865647

IUPAC3-(difluoromethoxy)-N-[(1-ethylpyrazol-4-yl)methyl]benzamide
SMILESCCn1cc(CNC(=O)c2cccc(OC(F)F)c2)cn1
InChIInChI=1S/C14H15F2N3O2/c1-2-19-9-10(8-18-19)7-17-13(20)11-4-3-5-12(6-11)21-14(15)16/h3-6,8-9,14H,2,7H2,1H3,(H,17,20)
InChIKeyXHIVEWOQFFWUQJ-UHFFFAOYSA-N
MW295.29 g/mol
LogP2.43
Rot. Bonds6

About 3-(difluoromethoxy)-N-[(1-ethylpyrazol-4-yl)methyl]benzamide

3-(difluoromethoxy)-N-[(1-ethylpyrazol-4-yl)methyl]benzamide (PubChem CID 4865647) has the molecular formula C14H15F2N3O2 and a molecular weight of 295.29 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-[(1-ethylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-[(1-ethylpyrazol-4-yl)methyl]benzamide
PubChem CID4865647
Molecular FormulaC14H15F2N3O2
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC Name3-(difluoromethoxy)-N-[(1-ethylpyrazol-4-yl)methyl]benzamide
SMILESCCn1cc(CNC(=O)c2cccc(OC(F)F)c2)cn1
InChIInChI=1S/C14H15F2N3O2/c1-2-19-9-10(8-18-19)7-17-13(20)11-4-3-5-12(6-11)21-14(15)16/h3-6,8-9,14H,2,7H2,1H3,(H,17,20)
InChIKeyXHIVEWOQFFWUQJ-UHFFFAOYSA-N
XLogP2.43
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-[(1-ethylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 3-(difluoromethoxy)-N-[(1-ethylpyrazol-4-yl)methyl]benzamide (CID 4865647) is 3-(difluoromethoxy)-N-[(1-ethylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-[(1-ethylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 3-(difluoromethoxy)-N-[(1-ethylpyrazol-4-yl)methyl]benzamide is CCn1cc(CNC(=O)c2cccc(OC(F)F)c2)cn1.
What is the InChIKey of 3-(difluoromethoxy)-N-[(1-ethylpyrazol-4-yl)methyl]benzamide?
The InChIKey is XHIVEWOQFFWUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O2/c1-2-19-9-10(8-18-19)7-17-13(20)11-4-3-5-12(6-11)21-14(15)16/h3-6,8-9,14H,2,7H2,1H3,(H,17,20).
What are the key properties of 3-(difluoromethoxy)-N-[(1-ethylpyrazol-4-yl)methyl]benzamide?
3-(difluoromethoxy)-N-[(1-ethylpyrazol-4-yl)methyl]benzamide has a molecular weight of 295.29 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-[(1-ethylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 4865647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).