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

C18H19N5O2 — CID 135753055

IUPACN-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylbenzamide
SMILESCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccccc2C)n1
InChIInChI=1S/C18H19N5O2/c1-4-13-10-16(24)21-18(19-13)23-15(9-12(3)22-23)20-17(25)14-8-6-5-7-11(14)2/h5-10H,4H2,1-3H3,(H,20,25)(H,19,21,24)
InChIKeyKHFWMULAIBSQOR-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.39
Rot. Bonds4

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

N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylbenzamide (PubChem CID 135753055) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylbenzamide
PubChem CID135753055
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC NameN-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylbenzamide
SMILESCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccccc2C)n1
InChIInChI=1S/C18H19N5O2/c1-4-13-10-16(24)21-18(19-13)23-15(9-12(3)22-23)20-17(25)14-8-6-5-7-11(14)2/h5-10H,4H2,1-3H3,(H,20,25)(H,19,21,24)
InChIKeyKHFWMULAIBSQOR-UHFFFAOYSA-N
XLogP2.39
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylbenzamide?
The IUPAC name of N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylbenzamide (CID 135753055) is N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylbenzamide.
What is the SMILES notation for N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylbenzamide?
The canonical SMILES for N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylbenzamide is CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccccc2C)n1.
What is the InChIKey of N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylbenzamide?
The InChIKey is KHFWMULAIBSQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-4-13-10-16(24)21-18(19-13)23-15(9-12(3)22-23)20-17(25)14-8-6-5-7-11(14)2/h5-10H,4H2,1-3H3,(H,20,25)(H,19,21,24).
What are the key properties of N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylbenzamide?
N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylbenzamide has a molecular weight of 337.38 g/mol, XLogP of 2.39, 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]-2-methylbenzamide is sourced from PubChem (CID 135753055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).