2-ethoxy-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide

C13H17N5O3 — CID 135752908

IUPAC2-ethoxy-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide
SMILESCCOCC(=O)Nc1cc(C)nn1-c1nc(C)cc(=O)[nH]1
InChIInChI=1S/C13H17N5O3/c1-4-21-7-12(20)15-10-5-9(3)17-18(10)13-14-8(2)6-11(19)16-13/h5-6H,4,7H2,1-3H3,(H,15,20)(H,14,16,19)
InChIKeySAHUYMMVJZLSMU-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.55
Rot. Bonds5

About 2-ethoxy-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide

2-ethoxy-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide (PubChem CID 135752908) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-ethoxy-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide
PubChem CID135752908
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Name2-ethoxy-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide
SMILESCCOCC(=O)Nc1cc(C)nn1-c1nc(C)cc(=O)[nH]1
InChIInChI=1S/C13H17N5O3/c1-4-21-7-12(20)15-10-5-9(3)17-18(10)13-14-8(2)6-11(19)16-13/h5-6H,4,7H2,1-3H3,(H,15,20)(H,14,16,19)
InChIKeySAHUYMMVJZLSMU-UHFFFAOYSA-N
XLogP0.55
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-amino-3-methyl-1H-pyrazol-1-yl)-6-methyl-3,4-dihydropyrimidin-4-one
CID 135778888
2-(5-amino-3-methyl-1H-pyrazol-1-yl)-6-ethyl-3,4-dihydropyrimidin-4-one
CID 135876292
2-(5-amino-3-methyl-1H-pyrazol-1-yl)-6-propyl-3,4-dihydropyrimidin-4-one
CID 135876298
N-(1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)isobutyramide
CID 135551469
2-[5-(2-methoxyethylamino)-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 162669511
N-(1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)acetamide
CID 135753026
N-(3-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)isobutyramide
CID 135752890
N-[1-(4-ethyl-6-oxo-1,6-dihydro-2-pyrimidinyl)-3-methyl-5-pyrazolyl]cyclopropanecarboxamide
CID 135753036
2,7-Dimethylpyrazolo[1,5-a]pyrimidin-5-ol
CID 135420556
2-(5-amino-3-methyl-1H-pyrazol-1-yl)-5,6-dimethyl-3,4-dihydropyrimidin-4-one
CID 136027792
2-methoxy-N-(3-methyl-1-(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)-1H-pyrazol-5-yl)acetamide
CID 135551807
2-(5-Amino-3-methyl-1H-pyrazol-1-yl)-6-(trifluoromethyl)pyrimidin-4(3H)-one
CID 162645359

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-ethoxy-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide (CID 135752908) is 2-ethoxy-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-ethoxy-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide is CCOCC(=O)Nc1cc(C)nn1-c1nc(C)cc(=O)[nH]1.
What is the InChIKey of 2-ethoxy-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide?
The InChIKey is SAHUYMMVJZLSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-4-21-7-12(20)15-10-5-9(3)17-18(10)13-14-8(2)6-11(19)16-13/h5-6H,4,7H2,1-3H3,(H,15,20)(H,14,16,19).
What are the key properties of 2-ethoxy-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide?
2-ethoxy-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide has a molecular weight of 291.31 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 135752908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).