2,6-difluoro-3-(1H-pyrazol-5-yl)benzamide

C10H7F2N3O — CID 66774318

IUPAC2,6-difluoro-3-(1H-pyrazol-5-yl)benzamide
SMILESNC(=O)c1c(F)ccc(-c2ccn[nH]2)c1F
InChIInChI=1S/C10H7F2N3O/c11-6-2-1-5(7-3-4-14-15-7)9(12)8(6)10(13)16/h1-4H,(H2,13,16)(H,14,15)
InChIKeyKBSZJPNXASYEAB-UHFFFAOYSA-N
MW223.18 g/mol
LogP1.45
Rot. Bonds2

About 2,6-difluoro-3-(1H-pyrazol-5-yl)benzamide

2,6-difluoro-3-(1H-pyrazol-5-yl)benzamide (PubChem CID 66774318) has the molecular formula C10H7F2N3O and a molecular weight of 223.18 g/mol. Its IUPAC name is 2,6-difluoro-3-(1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound Name2,6-difluoro-3-(1H-pyrazol-5-yl)benzamide
PubChem CID66774318
Molecular FormulaC10H7F2N3O
Molecular Weight223.18 g/mol
Exact Mass223.06
IUPAC Name2,6-difluoro-3-(1H-pyrazol-5-yl)benzamide
SMILESNC(=O)c1c(F)ccc(-c2ccn[nH]2)c1F
InChIInChI=1S/C10H7F2N3O/c11-6-2-1-5(7-3-4-14-15-7)9(12)8(6)10(13)16/h1-4H,(H2,13,16)(H,14,15)
InChIKeyKBSZJPNXASYEAB-UHFFFAOYSA-N
XLogP1.45
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.18
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-(1H-pyrazol-5-yl)benzamide?
The IUPAC name of 2,6-difluoro-3-(1H-pyrazol-5-yl)benzamide (CID 66774318) is 2,6-difluoro-3-(1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for 2,6-difluoro-3-(1H-pyrazol-5-yl)benzamide?
The canonical SMILES for 2,6-difluoro-3-(1H-pyrazol-5-yl)benzamide is NC(=O)c1c(F)ccc(-c2ccn[nH]2)c1F.
What is the InChIKey of 2,6-difluoro-3-(1H-pyrazol-5-yl)benzamide?
The InChIKey is KBSZJPNXASYEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N3O/c11-6-2-1-5(7-3-4-14-15-7)9(12)8(6)10(13)16/h1-4H,(H2,13,16)(H,14,15).
What are the key properties of 2,6-difluoro-3-(1H-pyrazol-5-yl)benzamide?
2,6-difluoro-3-(1H-pyrazol-5-yl)benzamide has a molecular weight of 223.18 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-(1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 66774318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).