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

C12H15N5O2 — CID 135753026

IUPACN-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
SMILESCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(C)=O)n1
InChIInChI=1S/C12H15N5O2/c1-4-9-6-11(19)15-12(14-9)17-10(13-8(3)18)5-7(2)16-17/h5-6H,4H2,1-3H3,(H,13,18)(H,14,15,19)
InChIKeyQVOPCMBYTSRMTG-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.78
Rot. Bonds3

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

N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide (PubChem CID 135753026) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
PubChem CID135753026
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC NameN-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
SMILESCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(C)=O)n1
InChIInChI=1S/C12H15N5O2/c1-4-9-6-11(19)15-12(14-9)17-10(13-8(3)18)5-7(2)16-17/h5-6H,4H2,1-3H3,(H,13,18)(H,14,15,19)
InChIKeyQVOPCMBYTSRMTG-UHFFFAOYSA-N
XLogP0.78
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-Dimethyl-1H-pyrazol-1-yl)-6-methylpyrimidin-4-ol
CID 135449532
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
6-ethyl-2,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-5-one
CID 135412467
2-(3,5-dimethyl-1H-pyrazol-1-yl)-4,6-pyrimidinediol
CID 1210988
3-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methyl-1,2,4-triazin-5-ol
CID 135447992
2-(5-amino-3-cyclopropyl-1H-pyrazol-1-yl)-6-isopropylpyrimidin-4(3H)-one
CID 135984534
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
N-(3-cyclopropyl-1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)isobutyramide
CID 135892137
2-(5-amino-3-cyclopropyl-1H-pyrazol-1-yl)-6-propylpyrimidin-4(3H)-one
CID 135984533
2-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136740737

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide?
The IUPAC name of N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide (CID 135753026) is N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide.
What is the SMILES notation for N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide?
The canonical SMILES for N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide is CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(C)=O)n1.
What is the InChIKey of N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide?
The InChIKey is QVOPCMBYTSRMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-4-9-6-11(19)15-12(14-9)17-10(13-8(3)18)5-7(2)16-17/h5-6H,4H2,1-3H3,(H,13,18)(H,14,15,19).
What are the key properties of N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide?
N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide has a molecular weight of 261.28 g/mol, XLogP of 0.78, 3 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]acetamide is sourced from PubChem (CID 135753026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).