4-ethyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide

C16H15N5O — CID 71789784

IUPAC4-ethyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide
SMILESCCc1ccc(C(=O)Nc2cnc(-n3cccn3)nc2)cc1
InChIInChI=1S/C16H15N5O/c1-2-12-4-6-13(7-5-12)15(22)20-14-10-17-16(18-11-14)21-9-3-8-19-21/h3-11H,2H2,1H3,(H,20,22)
InChIKeyAVPGXFZHEKHOCL-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.48
Rot. Bonds4

About 4-ethyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide

4-ethyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide (PubChem CID 71789784) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 4-ethyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide.

Molecular Properties

Compound Name4-ethyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide
PubChem CID71789784
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name4-ethyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide
SMILESCCc1ccc(C(=O)Nc2cnc(-n3cccn3)nc2)cc1
InChIInChI=1S/C16H15N5O/c1-2-12-4-6-13(7-5-12)15(22)20-14-10-17-16(18-11-14)21-9-3-8-19-21/h3-11H,2H2,1H3,(H,20,22)
InChIKeyAVPGXFZHEKHOCL-UHFFFAOYSA-N
XLogP2.48
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-butoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide
CID 71789781
3,4-difluoro-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide
CID 122300235
N-(2-pyrazol-1-ylpyrimidin-5-yl)butanamide
CID 91967761
N-(2-pyrazol-1-ylpyrimidin-5-yl)pyridine-2-carboxamide
CID 71789796
4-ethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 53164786
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
2-(3-methylphenyl)-N-(2-pyrazol-1-ylpyrimidin-5-yl)acetamide
CID 122300273
4-ethyl-N-pyridin-4-ylbenzamide
CID 2712552
5-chloro-N-(2-pyrazol-1-ylpyrimidin-5-yl)thiophene-2-carboxamide
CID 122300304
N-(2-pyrazol-1-ylpyrimidin-5-yl)-2-pyrrol-1-ylacetamide
CID 122300366
7-methoxy-N-(2-pyrazol-1-ylpyrimidin-5-yl)-1-benzofuran-2-carboxamide
CID 122300248

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide?
The IUPAC name of 4-ethyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide (CID 71789784) is 4-ethyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide.
What is the SMILES notation for 4-ethyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide?
The canonical SMILES for 4-ethyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide is CCc1ccc(C(=O)Nc2cnc(-n3cccn3)nc2)cc1.
What is the InChIKey of 4-ethyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide?
The InChIKey is AVPGXFZHEKHOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-2-12-4-6-13(7-5-12)15(22)20-14-10-17-16(18-11-14)21-9-3-8-19-21/h3-11H,2H2,1H3,(H,20,22).
What are the key properties of 4-ethyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide?
4-ethyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide has a molecular weight of 293.33 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-pyrazol-1-ylpyrimidin-5-yl)benzamide is sourced from PubChem (CID 71789784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).