N-[2-(4-methoxyphenyl)ethyl]-N'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]oxamide

C20H22N6O4 — CID 135954067

IUPACN-[2-(4-methoxyphenyl)ethyl]-N'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)Nc2cc(C)nn2-c2nc(C)cc(=O)[nH]2)cc1
InChIInChI=1S/C20H22N6O4/c1-12-11-17(27)24-20(22-12)26-16(10-13(2)25-26)23-19(29)18(28)21-9-8-14-4-6-15(30-3)7-5-14/h4-7,10-11H,8-9H2,1-3H3,(H,21,28)(H,23,29)(H,22,24,27)
InChIKeyOGGCJMQCRXUIQY-UHFFFAOYSA-N
MW410.43 g/mol
LogP0.88
Rot. Bonds6

About N-[2-(4-methoxyphenyl)ethyl]-N'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]oxamide

N-[2-(4-methoxyphenyl)ethyl]-N'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]oxamide (PubChem CID 135954067) has the molecular formula C20H22N6O4 and a molecular weight of 410.43 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-N'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]oxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-N'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]oxamide
PubChem CID135954067
Molecular FormulaC20H22N6O4
Molecular Weight410.43 g/mol
Exact Mass410.17
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-N'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)Nc2cc(C)nn2-c2nc(C)cc(=O)[nH]2)cc1
InChIInChI=1S/C20H22N6O4/c1-12-11-17(27)24-20(22-12)26-16(10-13(2)25-26)23-19(29)18(28)21-9-8-14-4-6-15(30-3)7-5-14/h4-7,10-11H,8-9H2,1-3H3,(H,21,28)(H,23,29)(H,22,24,27)
InChIKeyOGGCJMQCRXUIQY-UHFFFAOYSA-N
XLogP0.88
TPSA131.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 136641392
N-[(4-chlorophenyl)methyl]-N'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]oxamide
CID 135954061
N'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-N-prop-2-enyloxamide
CID 136641277
N-(1,3-benzodioxol-5-ylmethyl)-N'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]oxamide
CID 135954060
4-methoxy-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135753214
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]oxamide
CID 136641448
N'-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-(3-propan-2-yloxypropyl)oxamide
CID 136641293
N-[2-(4-methoxyphenyl)ethyl]-N'-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide
CID 73339846
N'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-N-(oxolan-2-ylmethyl)oxamide
CID 135954051
ethyl 2-[[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]amino]-2-oxoacetate
CID 135753198
4-tert-butyl-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135870128
2-(3,4-dimethoxyphenyl)-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
CID 135731875

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-N'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]oxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-N'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]oxamide (CID 135954067) is N-[2-(4-methoxyphenyl)ethyl]-N'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]oxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-N'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]oxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-N'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]oxamide is COc1ccc(CCNC(=O)C(=O)Nc2cc(C)nn2-c2nc(C)cc(=O)[nH]2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-N'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]oxamide?
The InChIKey is OGGCJMQCRXUIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O4/c1-12-11-17(27)24-20(22-12)26-16(10-13(2)25-26)23-19(29)18(28)21-9-8-14-4-6-15(30-3)7-5-14/h4-7,10-11H,8-9H2,1-3H3,(H,21,28)(H,23,29)(H,22,24,27).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-N'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]oxamide?
N-[2-(4-methoxyphenyl)ethyl]-N'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]oxamide has a molecular weight of 410.43 g/mol, XLogP of 0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-N'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]oxamide is sourced from PubChem (CID 135954067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).