3,5-difluoro-4-(1H-pyrazol-4-yl)benzamide

C10H7F2N3O — CID 68758842

IUPAC3,5-difluoro-4-(1H-pyrazol-4-yl)benzamide
SMILESNC(=O)c1cc(F)c(-c2cn[nH]c2)c(F)c1
InChIInChI=1S/C10H7F2N3O/c11-7-1-5(10(13)16)2-8(12)9(7)6-3-14-15-4-6/h1-4H,(H2,13,16)(H,14,15)
InChIKeyLBJYHMQJVKLQNY-UHFFFAOYSA-N
MW223.18 g/mol
LogP1.45
Rot. Bonds2

About 3,5-difluoro-4-(1H-pyrazol-4-yl)benzamide

3,5-difluoro-4-(1H-pyrazol-4-yl)benzamide (PubChem CID 68758842) has the molecular formula C10H7F2N3O and a molecular weight of 223.18 g/mol. Its IUPAC name is 3,5-difluoro-4-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound Name3,5-difluoro-4-(1H-pyrazol-4-yl)benzamide
PubChem CID68758842
Molecular FormulaC10H7F2N3O
Molecular Weight223.18 g/mol
Exact Mass223.06
IUPAC Name3,5-difluoro-4-(1H-pyrazol-4-yl)benzamide
SMILESNC(=O)c1cc(F)c(-c2cn[nH]c2)c(F)c1
InChIInChI=1S/C10H7F2N3O/c11-7-1-5(10(13)16)2-8(12)9(7)6-3-14-15-4-6/h1-4H,(H2,13,16)(H,14,15)
InChIKeyLBJYHMQJVKLQNY-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 3,5-difluoro-4-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of 3,5-difluoro-4-(1H-pyrazol-4-yl)benzamide (CID 68758842) is 3,5-difluoro-4-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for 3,5-difluoro-4-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for 3,5-difluoro-4-(1H-pyrazol-4-yl)benzamide is NC(=O)c1cc(F)c(-c2cn[nH]c2)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-(1H-pyrazol-4-yl)benzamide?
The InChIKey is LBJYHMQJVKLQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N3O/c11-7-1-5(10(13)16)2-8(12)9(7)6-3-14-15-4-6/h1-4H,(H2,13,16)(H,14,15).
What are the key properties of 3,5-difluoro-4-(1H-pyrazol-4-yl)benzamide?
3,5-difluoro-4-(1H-pyrazol-4-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 3,5-difluoro-4-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 68758842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).