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

C18H19N5O3 — CID 135753062

IUPACN-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-methoxybenzamide
SMILESCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2cccc(OC)c2)n1
InChIInChI=1S/C18H19N5O3/c1-4-13-10-16(24)21-18(19-13)23-15(8-11(2)22-23)20-17(25)12-6-5-7-14(9-12)26-3/h5-10H,4H2,1-3H3,(H,20,25)(H,19,21,24)
InChIKeyMVWOEPIMVVEQLA-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.09
Rot. Bonds5

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

N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-methoxybenzamide (PubChem CID 135753062) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-methoxybenzamide
PubChem CID135753062
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC NameN-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-methoxybenzamide
SMILESCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2cccc(OC)c2)n1
InChIInChI=1S/C18H19N5O3/c1-4-13-10-16(24)21-18(19-13)23-15(8-11(2)22-23)20-17(25)12-6-5-7-14(9-12)26-3/h5-10H,4H2,1-3H3,(H,20,25)(H,19,21,24)
InChIKeyMVWOEPIMVVEQLA-UHFFFAOYSA-N
XLogP2.09
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3,4-dimethoxybenzamide
CID 135731872
3-(dimethylamino)-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 136636843
N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2,4-dimethoxybenzamide
CID 135753068
4-methoxy-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135753214
N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-propan-2-yloxybenzamide
CID 135753066
N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-(hydroxymethyl)benzamide
CID 156672559
3-bromo-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135753232
4-methoxy-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135752921
3-methyl-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135870125
4-(dimethylsulfamoyl)-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 135731876
2-(3,4-dimethoxyphenyl)-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
CID 135731875
N-[2-(6-methoxy-4-oxo-3H-quinazolin-2-yl)-5-methylpyrazol-3-yl]-3-methylbenzamide
CID 168868114

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-methoxybenzamide?
The IUPAC name of N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-methoxybenzamide (CID 135753062) is N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-methoxybenzamide?
The canonical SMILES for N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-methoxybenzamide is CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2cccc(OC)c2)n1.
What is the InChIKey of N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-methoxybenzamide?
The InChIKey is MVWOEPIMVVEQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-4-13-10-16(24)21-18(19-13)23-15(8-11(2)22-23)20-17(25)12-6-5-7-14(9-12)26-3/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]-3-methoxybenzamide?
N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-methoxybenzamide has a molecular weight of 353.38 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 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]-3-methoxybenzamide is sourced from PubChem (CID 135753062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).