2-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one

C10H12N4O — CID 95732712

IUPAC2-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one
SMILESCCCn1cc(-c2nccc(=O)[nH]2)cn1
InChIInChI=1S/C10H12N4O/c1-2-5-14-7-8(6-12-14)10-11-4-3-9(15)13-10/h3-4,6-7H,2,5H2,1H3,(H,11,13,15)
InChIKeyAGVLDXFMXMJACY-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.04
Rot. Bonds3

About 2-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one

2-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one (PubChem CID 95732712) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one
PubChem CID95732712
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name2-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one
SMILESCCCn1cc(-c2nccc(=O)[nH]2)cn1
InChIInChI=1S/C10H12N4O/c1-2-5-14-7-8(6-12-14)10-11-4-3-9(15)13-10/h3-4,6-7H,2,5H2,1H3,(H,11,13,15)
InChIKeyAGVLDXFMXMJACY-UHFFFAOYSA-N
XLogP1.04
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one (CID 95732712) is 2-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one is CCCn1cc(-c2nccc(=O)[nH]2)cn1.
What is the InChIKey of 2-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one?
The InChIKey is AGVLDXFMXMJACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-2-5-14-7-8(6-12-14)10-11-4-3-9(15)13-10/h3-4,6-7H,2,5H2,1H3,(H,11,13,15).
What are the key properties of 2-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one?
2-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one has a molecular weight of 204.23 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propylpyrazol-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 95732712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).