3-(2,4-dioxopyrimidin-1-yl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]propanamide

C14H17N5O4 — CID 72719598

IUPAC3-(2,4-dioxopyrimidin-1-yl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]propanamide
SMILESO=C(CCn1ccc(=O)[nH]c1=O)Nc1cnn(C2CCOC2)c1
InChIInChI=1S/C14H17N5O4/c20-12(1-4-18-5-2-13(21)17-14(18)22)16-10-7-15-19(8-10)11-3-6-23-9-11/h2,5,7-8,11H,1,3-4,6,9H2,(H,16,20)(H,17,21,22)
InChIKeyRVNIEQDGWWBBHM-UHFFFAOYSA-N
MW319.32 g/mol
LogP-0.28
Rot. Bonds5

About 3-(2,4-dioxopyrimidin-1-yl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]propanamide

3-(2,4-dioxopyrimidin-1-yl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]propanamide (PubChem CID 72719598) has the molecular formula C14H17N5O4 and a molecular weight of 319.32 g/mol. Its IUPAC name is 3-(2,4-dioxopyrimidin-1-yl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name3-(2,4-dioxopyrimidin-1-yl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]propanamide
PubChem CID72719598
Molecular FormulaC14H17N5O4
Molecular Weight319.32 g/mol
Exact Mass319.13
IUPAC Name3-(2,4-dioxopyrimidin-1-yl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]propanamide
SMILESO=C(CCn1ccc(=O)[nH]c1=O)Nc1cnn(C2CCOC2)c1
InChIInChI=1S/C14H17N5O4/c20-12(1-4-18-5-2-13(21)17-14(18)22)16-10-7-15-19(8-10)11-3-6-23-9-11/h2,5,7-8,11H,1,3-4,6,9H2,(H,16,20)(H,17,21,22)
InChIKeyRVNIEQDGWWBBHM-UHFFFAOYSA-N
XLogP-0.28
TPSA111.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]propanamide?
The IUPAC name of 3-(2,4-dioxopyrimidin-1-yl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]propanamide (CID 72719598) is 3-(2,4-dioxopyrimidin-1-yl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]propanamide.
What is the SMILES notation for 3-(2,4-dioxopyrimidin-1-yl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]propanamide?
The canonical SMILES for 3-(2,4-dioxopyrimidin-1-yl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]propanamide is O=C(CCn1ccc(=O)[nH]c1=O)Nc1cnn(C2CCOC2)c1.
What is the InChIKey of 3-(2,4-dioxopyrimidin-1-yl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]propanamide?
The InChIKey is RVNIEQDGWWBBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O4/c20-12(1-4-18-5-2-13(21)17-14(18)22)16-10-7-15-19(8-10)11-3-6-23-9-11/h2,5,7-8,11H,1,3-4,6,9H2,(H,16,20)(H,17,21,22).
What are the key properties of 3-(2,4-dioxopyrimidin-1-yl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]propanamide?
3-(2,4-dioxopyrimidin-1-yl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]propanamide has a molecular weight of 319.32 g/mol, XLogP of -0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxopyrimidin-1-yl)-N-[1-(oxolan-3-yl)pyrazol-4-yl]propanamide is sourced from PubChem (CID 72719598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).