N'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-N-prop-2-enyloxamide

C14H16N6O3 — CID 136641277

IUPACN'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)Nc1cc(C)nn1-c1nc(C)cc(=O)[nH]1
InChIInChI=1S/C14H16N6O3/c1-4-5-15-12(22)13(23)17-10-6-9(3)19-20(10)14-16-8(2)7-11(21)18-14/h4,6-7H,1,5H2,2-3H3,(H,15,22)(H,17,23)(H,16,18,21)
InChIKeyZSMGSHLASXDLKB-UHFFFAOYSA-N
MW316.32 g/mol
LogP-0.19
Rot. Bonds4

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

N'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-N-prop-2-enyloxamide (PubChem CID 136641277) has the molecular formula C14H16N6O3 and a molecular weight of 316.32 g/mol. Its IUPAC name is N'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-N-prop-2-enyloxamide.

Molecular Properties

Compound NameN'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-N-prop-2-enyloxamide
PubChem CID136641277
Molecular FormulaC14H16N6O3
Molecular Weight316.32 g/mol
Exact Mass316.13
IUPAC NameN'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)Nc1cc(C)nn1-c1nc(C)cc(=O)[nH]1
InChIInChI=1S/C14H16N6O3/c1-4-5-15-12(22)13(23)17-10-6-9(3)19-20(10)14-16-8(2)7-11(21)18-14/h4,6-7H,1,5H2,2-3H3,(H,15,22)(H,17,23)(H,16,18,21)
InChIKeyZSMGSHLASXDLKB-UHFFFAOYSA-N
XLogP-0.19
TPSA121.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chlorophenyl)methyl]-N'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]oxamide
CID 135954061
N-[2-(4-methoxyphenyl)ethyl]-N'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]oxamide
CID 135954067
N'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-N-(oxolan-2-ylmethyl)oxamide
CID 135954051
N-(1,3-benzodioxol-5-ylmethyl)-N'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]oxamide
CID 135954060
2-chloro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]propanamide
CID 136636473
2-methyl-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135752917
4-tert-butyl-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135870128
N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-3,3-diphenylpropanamide
CID 135752975
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
2-bromo-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135870137
2-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 135752929

Frequently Asked Questions

What is the IUPAC name of N'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-N-prop-2-enyloxamide?
The IUPAC name of N'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-N-prop-2-enyloxamide (CID 136641277) is N'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-N-prop-2-enyloxamide.
What is the SMILES notation for N'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-N-prop-2-enyloxamide?
The canonical SMILES for N'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-N-prop-2-enyloxamide is C=CCNC(=O)C(=O)Nc1cc(C)nn1-c1nc(C)cc(=O)[nH]1.
What is the InChIKey of N'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-N-prop-2-enyloxamide?
The InChIKey is ZSMGSHLASXDLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O3/c1-4-5-15-12(22)13(23)17-10-6-9(3)19-20(10)14-16-8(2)7-11(21)18-14/h4,6-7H,1,5H2,2-3H3,(H,15,22)(H,17,23)(H,16,18,21).
What are the key properties of N'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-N-prop-2-enyloxamide?
N'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-N-prop-2-enyloxamide has a molecular weight of 316.32 g/mol, XLogP of -0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-N-prop-2-enyloxamide is sourced from PubChem (CID 136641277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).