N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide

C17H17N5O2 — CID 135731871

IUPACN-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide
SMILESCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccccc2)n1
InChIInChI=1S/C17H17N5O2/c1-3-13-10-15(23)20-17(18-13)22-14(9-11(2)21-22)19-16(24)12-7-5-4-6-8-12/h4-10H,3H2,1-2H3,(H,19,24)(H,18,20,23)
InChIKeyHJJBPUSBWLFCBD-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.08
Rot. Bonds4

About N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide

N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide (PubChem CID 135731871) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide
PubChem CID135731871
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC NameN-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide
SMILESCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccccc2)n1
InChIInChI=1S/C17H17N5O2/c1-3-13-10-15(23)20-17(18-13)22-14(9-11(2)21-22)19-16(24)12-7-5-4-6-8-12/h4-10H,3H2,1-2H3,(H,19,24)(H,18,20,23)
InChIKeyHJJBPUSBWLFCBD-UHFFFAOYSA-N
XLogP2.08
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyano-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 11245456
6-methyl-2-(3-methyl-5-((4-methylphenyl)amino)-1H-pyrazol-1-yl)-1,4-dihydropyrimidin-4-one
CID 135415440
N-(1,3-diphenyl-1H-pyrazolo-5-yl)-4-nitrobenzamide
CID 11610682
N-(5-Cyclopropyl-1h-Pyrazol-3-Yl)Benzamide
CID 449088
N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 4156919
4-cyano-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 11574130
N-(1-methyl-3-phenylpyrazol-5-yl)benzamide
CID 2814962
2-methyl-4H,5H-pyrazolo[1,5-a]quinazolin-5-one
CID 135512367
2-Methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-ol
CID 135459218
N-(5-Cyclopropyl-1h-Pyrazol-3-Yl)benzene-1,4-Dicarboxamide
CID 5330977
4-{[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoyl]methyl}benzamide
CID 5330999
3-Phenylacetamidoaminopyrazole deriv. 39
CID 6538741

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide?
The IUPAC name of N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide (CID 135731871) is N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide.
What is the SMILES notation for N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide?
The canonical SMILES for N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide is CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccccc2)n1.
What is the InChIKey of N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide?
The InChIKey is HJJBPUSBWLFCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-3-13-10-15(23)20-17(18-13)22-14(9-11(2)21-22)19-16(24)12-7-5-4-6-8-12/h4-10H,3H2,1-2H3,(H,19,24)(H,18,20,23).
What are the key properties of N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide?
N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide has a molecular weight of 323.36 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide is sourced from PubChem (CID 135731871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).