3-(1-methylpyrazol-3-yl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide

C12H15N5O3 — CID 150397729

IUPAC3-(1-methylpyrazol-3-yl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
SMILESCC(C)n1cc(C(N)=O)c(=O)n(-c2ccn(C)n2)c1=O
InChIInChI=1S/C12H15N5O3/c1-7(2)16-6-8(10(13)18)11(19)17(12(16)20)9-4-5-15(3)14-9/h4-7H,1-3H3,(H2,13,18)
InChIKeyHDCFAUHDJMNOQI-UHFFFAOYSA-N
MW277.28 g/mol
LogP-0.59
Rot. Bonds3

About 3-(1-methylpyrazol-3-yl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide

3-(1-methylpyrazol-3-yl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 150397729) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is 3-(1-methylpyrazol-3-yl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-(1-methylpyrazol-3-yl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
PubChem CID150397729
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC Name3-(1-methylpyrazol-3-yl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
SMILESCC(C)n1cc(C(N)=O)c(=O)n(-c2ccn(C)n2)c1=O
InChIInChI=1S/C12H15N5O3/c1-7(2)16-6-8(10(13)18)11(19)17(12(16)20)9-4-5-15(3)14-9/h4-7H,1-3H3,(H2,13,18)
InChIKeyHDCFAUHDJMNOQI-UHFFFAOYSA-N
XLogP-0.59
TPSA104.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-3-yl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of 3-(1-methylpyrazol-3-yl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide (CID 150397729) is 3-(1-methylpyrazol-3-yl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 3-(1-methylpyrazol-3-yl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for 3-(1-methylpyrazol-3-yl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide is CC(C)n1cc(C(N)=O)c(=O)n(-c2ccn(C)n2)c1=O.
What is the InChIKey of 3-(1-methylpyrazol-3-yl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is HDCFAUHDJMNOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c1-7(2)16-6-8(10(13)18)11(19)17(12(16)20)9-4-5-15(3)14-9/h4-7H,1-3H3,(H2,13,18).
What are the key properties of 3-(1-methylpyrazol-3-yl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide?
3-(1-methylpyrazol-3-yl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 277.28 g/mol, XLogP of -0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-3-yl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 150397729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).