2-(2,4-dioxopyrimidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide

C10H11N5O3 — CID 54897021

IUPAC2-(2,4-dioxopyrimidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)NCc1cn[nH]c1
InChIInChI=1S/C10H11N5O3/c16-8-1-2-15(10(18)14-8)6-9(17)11-3-7-4-12-13-5-7/h1-2,4-5H,3,6H2,(H,11,17)(H,12,13)(H,14,16,18)
InChIKeyXQDHRFXHBGQKHS-UHFFFAOYSA-N
MW249.23 g/mol
LogP-1.42
Rot. Bonds4

About 2-(2,4-dioxopyrimidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide

2-(2,4-dioxopyrimidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide (PubChem CID 54897021) has the molecular formula C10H11N5O3 and a molecular weight of 249.23 g/mol. Its IUPAC name is 2-(2,4-dioxopyrimidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxopyrimidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide
PubChem CID54897021
Molecular FormulaC10H11N5O3
Molecular Weight249.23 g/mol
Exact Mass249.09
IUPAC Name2-(2,4-dioxopyrimidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)NCc1cn[nH]c1
InChIInChI=1S/C10H11N5O3/c16-8-1-2-15(10(18)14-8)6-9(17)11-3-7-4-12-13-5-7/h1-2,4-5H,3,6H2,(H,11,17)(H,12,13)(H,14,16,18)
InChIKeyXQDHRFXHBGQKHS-UHFFFAOYSA-N
XLogP-1.42
TPSA112.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 5-1.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(2,4-dioxopyrimidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,4-dioxopyrimidin-1-yl)-N-propylacetamide
CID 30662441
2-(2,4-dioxopyrimidin-1-yl)acetohydrazide
CID 43236986
2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide
CID 60699315
N-(2-chloroprop-2-enyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 115636712
N-(1H-benzimidazol-2-ylmethyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 146022159
2-(2,4-dioxopyrimidin-1-yl)-N-[(2S)-2-hydroxypropyl]acetamide
CID 83030551
N-carbamoyl-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 63812524
2-(2,4-dioxopyrimidin-1-yl)-N-[[2-(phenoxymethyl)phenyl]methyl]acetamide
CID 17398844
N-cyclopropyl-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 37345436
2-(2,4-dioxopyrimidin-1-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide
CID 37489706
2-(2,4-dioxopyrimidin-1-yl)-N-pyridin-4-ylacetamide
CID 39953760
(2S)-4-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-2-hydroxybutanoic acid
CID 107834517

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide?
The IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide (CID 54897021) is 2-(2,4-dioxopyrimidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxopyrimidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide?
The canonical SMILES for 2-(2,4-dioxopyrimidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide is O=C(Cn1ccc(=O)[nH]c1=O)NCc1cn[nH]c1.
What is the InChIKey of 2-(2,4-dioxopyrimidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide?
The InChIKey is XQDHRFXHBGQKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3/c16-8-1-2-15(10(18)14-8)6-9(17)11-3-7-4-12-13-5-7/h1-2,4-5H,3,6H2,(H,11,17)(H,12,13)(H,14,16,18).
What are the key properties of 2-(2,4-dioxopyrimidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide?
2-(2,4-dioxopyrimidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide has a molecular weight of 249.23 g/mol, XLogP of -1.42, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxopyrimidin-1-yl)-N-(1H-pyrazol-4-ylmethyl)acetamide is sourced from PubChem (CID 54897021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).