3,4-difluoro-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide

C14H9F2N5O — CID 122300235

IUPAC3,4-difluoro-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide
SMILESO=C(Nc1cnc(-n2cccn2)nc1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H9F2N5O/c15-11-3-2-9(6-12(11)16)13(22)20-10-7-17-14(18-8-10)21-5-1-4-19-21/h1-8H,(H,20,22)
InChIKeyIUOTVJQANGVKQN-UHFFFAOYSA-N
MW301.26 g/mol
LogP2.19
Rot. Bonds3

About 3,4-difluoro-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide

3,4-difluoro-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide (PubChem CID 122300235) has the molecular formula C14H9F2N5O and a molecular weight of 301.26 g/mol. Its IUPAC name is 3,4-difluoro-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide
PubChem CID122300235
Molecular FormulaC14H9F2N5O
Molecular Weight301.26 g/mol
Exact Mass301.08
IUPAC Name3,4-difluoro-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide
SMILESO=C(Nc1cnc(-n2cccn2)nc1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H9F2N5O/c15-11-3-2-9(6-12(11)16)13(22)20-10-7-17-14(18-8-10)21-5-1-4-19-21/h1-8H,(H,20,22)
InChIKeyIUOTVJQANGVKQN-UHFFFAOYSA-N
XLogP2.19
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide
CID 71789784
N-(3,4-difluorophenyl)-4-pyrazol-1-ylbenzamide
CID 17426566
3,4-difluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53164633
N-(2-pyrazol-1-ylpyrimidin-5-yl)pyridine-2-carboxamide
CID 71789796
4-butoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide
CID 71789781
2-(2,4-difluorophenyl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide
CID 122300328
3,4-difluoro-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725502
3,4-difluoro-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]benzamide
CID 39188940
5-chloro-N-(2-pyrazol-1-ylpyrimidin-5-yl)thiophene-2-carboxamide
CID 122300304
3,4-difluoro-N-[4-(4-fluoroanilino)phenyl]benzamide
CID 112986865
5-methyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)pyrazine-2-carboxamide
CID 122300381
1-methyl-2-oxo-N-(2-pyrazol-1-ylpyrimidin-5-yl)pyridine-3-carboxamide
CID 122300247

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide?
The IUPAC name of 3,4-difluoro-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide (CID 122300235) is 3,4-difluoro-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide.
What is the SMILES notation for 3,4-difluoro-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide?
The canonical SMILES for 3,4-difluoro-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide is O=C(Nc1cnc(-n2cccn2)nc1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide?
The InChIKey is IUOTVJQANGVKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N5O/c15-11-3-2-9(6-12(11)16)13(22)20-10-7-17-14(18-8-10)21-5-1-4-19-21/h1-8H,(H,20,22).
What are the key properties of 3,4-difluoro-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide?
3,4-difluoro-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide has a molecular weight of 301.26 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide is sourced from PubChem (CID 122300235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).