2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide

C12H15N5O3 — CID 103855815

IUPAC2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
SMILESCC(NC(=O)Cn1ccc(=O)n(C)c1=O)c1cn[nH]c1
InChIInChI=1S/C12H15N5O3/c1-8(9-5-13-14-6-9)15-10(18)7-17-4-3-11(19)16(2)12(17)20/h3-6,8H,7H2,1-2H3,(H,13,14)(H,15,18)
InChIKeyJLYHUUURNXWBPY-UHFFFAOYSA-N
MW277.28 g/mol
LogP-0.85
Rot. Bonds4

About 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide

2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide (PubChem CID 103855815) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
PubChem CID103855815
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC Name2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
SMILESCC(NC(=O)Cn1ccc(=O)n(C)c1=O)c1cn[nH]c1
InChIInChI=1S/C12H15N5O3/c1-8(9-5-13-14-6-9)15-10(18)7-17-4-3-11(19)16(2)12(17)20/h3-6,8H,7H2,1-2H3,(H,13,14)(H,15,18)
InChIKeyJLYHUUURNXWBPY-UHFFFAOYSA-N
XLogP-0.85
TPSA101.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[1-(4-phenoxyphenyl)ethyl]acetamide
CID 60618424
N-[(1R)-1-(4-cyanophenyl)ethyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 33367557
2-(5-amino-2-oxo-1-pyridinyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 106208105
(2S)-3-methyl-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 61137273
N-[1-(1H-pyrazol-4-yl)ethyl]butanamide
CID 103856506
N-[1-(1H-pyrazol-4-yl)ethyl]-2-(tetrazol-1-yl)acetamide
CID 103855789
2-(2-oxoazepan-1-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856148
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103855778
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914909
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]acetamide
CID 38618836
2-(3-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856094
3-methylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103856287

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide (CID 103855815) is 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide is CC(NC(=O)Cn1ccc(=O)n(C)c1=O)c1cn[nH]c1.
What is the InChIKey of 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
The InChIKey is JLYHUUURNXWBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c1-8(9-5-13-14-6-9)15-10(18)7-17-4-3-11(19)16(2)12(17)20/h3-6,8H,7H2,1-2H3,(H,13,14)(H,15,18).
What are the key properties of 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide?
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide has a molecular weight of 277.28 g/mol, XLogP of -0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 103855815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).