3-[2-(4-aminopyrazol-1-yl)ethyl]pyrimidin-4-one

C9H11N5O — CID 63769679

IUPAC3-[2-(4-aminopyrazol-1-yl)ethyl]pyrimidin-4-one
SMILESNc1cnn(CCn2cnccc2=O)c1
InChIInChI=1S/C9H11N5O/c10-8-5-12-14(6-8)4-3-13-7-11-2-1-9(13)15/h1-2,5-7H,3-4,10H2
InChIKeyZXRNWHLUSHISLX-UHFFFAOYSA-N
MW205.22 g/mol
LogP-0.28
Rot. Bonds3

About 3-[2-(4-aminopyrazol-1-yl)ethyl]pyrimidin-4-one

3-[2-(4-aminopyrazol-1-yl)ethyl]pyrimidin-4-one (PubChem CID 63769679) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is 3-[2-(4-aminopyrazol-1-yl)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(4-aminopyrazol-1-yl)ethyl]pyrimidin-4-one
PubChem CID63769679
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name3-[2-(4-aminopyrazol-1-yl)ethyl]pyrimidin-4-one
SMILESNc1cnn(CCn2cnccc2=O)c1
InChIInChI=1S/C9H11N5O/c10-8-5-12-14(6-8)4-3-13-7-11-2-1-9(13)15/h1-2,5-7H,3-4,10H2
InChIKeyZXRNWHLUSHISLX-UHFFFAOYSA-N
XLogP-0.28
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-aminopyrazol-1-yl)ethyl]pyrimidin-4-one?
The IUPAC name of 3-[2-(4-aminopyrazol-1-yl)ethyl]pyrimidin-4-one (CID 63769679) is 3-[2-(4-aminopyrazol-1-yl)ethyl]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(4-aminopyrazol-1-yl)ethyl]pyrimidin-4-one?
The canonical SMILES for 3-[2-(4-aminopyrazol-1-yl)ethyl]pyrimidin-4-one is Nc1cnn(CCn2cnccc2=O)c1.
What is the InChIKey of 3-[2-(4-aminopyrazol-1-yl)ethyl]pyrimidin-4-one?
The InChIKey is ZXRNWHLUSHISLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c10-8-5-12-14(6-8)4-3-13-7-11-2-1-9(13)15/h1-2,5-7H,3-4,10H2.
What are the key properties of 3-[2-(4-aminopyrazol-1-yl)ethyl]pyrimidin-4-one?
3-[2-(4-aminopyrazol-1-yl)ethyl]pyrimidin-4-one has a molecular weight of 205.22 g/mol, XLogP of -0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-aminopyrazol-1-yl)ethyl]pyrimidin-4-one is sourced from PubChem (CID 63769679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).