2,4-difluoro-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide

C15H10F2N4O — CID 67504317

IUPAC2,4-difluoro-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide
SMILESNC(=O)c1ccc(F)c(-c2[nH]ncc2-c2ccncc2)c1F
InChIInChI=1S/C15H10F2N4O/c16-11-2-1-9(15(18)22)13(17)12(11)14-10(7-20-21-14)8-3-5-19-6-4-8/h1-7H,(H2,18,22)(H,20,21)
InChIKeyCETXZGSJBACXNS-UHFFFAOYSA-N
MW300.27 g/mol
LogP2.52
Rot. Bonds3

About 2,4-difluoro-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide

2,4-difluoro-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide (PubChem CID 67504317) has the molecular formula C15H10F2N4O and a molecular weight of 300.27 g/mol. Its IUPAC name is 2,4-difluoro-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound Name2,4-difluoro-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide
PubChem CID67504317
Molecular FormulaC15H10F2N4O
Molecular Weight300.27 g/mol
Exact Mass300.08
IUPAC Name2,4-difluoro-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide
SMILESNC(=O)c1ccc(F)c(-c2[nH]ncc2-c2ccncc2)c1F
InChIInChI=1S/C15H10F2N4O/c16-11-2-1-9(15(18)22)13(17)12(11)14-10(7-20-21-14)8-3-5-19-6-4-8/h1-7H,(H2,18,22)(H,20,21)
InChIKeyCETXZGSJBACXNS-UHFFFAOYSA-N
XLogP2.52
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide?
The IUPAC name of 2,4-difluoro-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide (CID 67504317) is 2,4-difluoro-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for 2,4-difluoro-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide?
The canonical SMILES for 2,4-difluoro-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide is NC(=O)c1ccc(F)c(-c2[nH]ncc2-c2ccncc2)c1F.
What is the InChIKey of 2,4-difluoro-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide?
The InChIKey is CETXZGSJBACXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N4O/c16-11-2-1-9(15(18)22)13(17)12(11)14-10(7-20-21-14)8-3-5-19-6-4-8/h1-7H,(H2,18,22)(H,20,21).
What are the key properties of 2,4-difluoro-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide?
2,4-difluoro-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide has a molecular weight of 300.27 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 67504317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).