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

C10H12N4O — CID 103015543

IUPAC3-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-one
SMILESCn1nccc1CCn1cnccc1=O
InChIInChI=1S/C10H12N4O/c1-13-9(2-6-12-13)4-7-14-8-11-5-3-10(14)15/h2-3,5-6,8H,4,7H2,1H3
InChIKeyBNHBQMSHXQYGFI-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.22
Rot. Bonds3

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

3-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-one (PubChem CID 103015543) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-one
PubChem CID103015543
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name3-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-one
SMILESCn1nccc1CCn1cnccc1=O
InChIInChI=1S/C10H12N4O/c1-13-9(2-6-12-13)4-7-14-8-11-5-3-10(14)15/h2-3,5-6,8H,4,7H2,1H3
InChIKeyBNHBQMSHXQYGFI-UHFFFAOYSA-N
XLogP0.22
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-propylpyrimidin-4-one
CID 115679465
(1S)-1-[3-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-4-yl]ethanamine
CID 103013036
3-(2-phenylethyl)pyrimidin-4-one
CID 68623942
1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propylimidazol-2-one
CID 103015554
3-(5-chloropentyl)pyrimidin-4-one
CID 63768650
3-[3-(ethylamino)propyl]pyrimidin-4-one
CID 63767956
4-(2-methylpyrazol-3-yl)butanal
CID 103014880
3-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrimidine-2,4-dione
CID 107104005
3-(4-hydroxyhexyl)pyrimidin-4-one
CID 106802562
3-(5-amino-4,4-dimethylpentyl)pyrimidin-4-one
CID 65255580
3-[2-(2-aminoethoxy)ethyl]pyrimidin-4-one
CID 103482356
1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine
CID 82606001

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-one?
The IUPAC name of 3-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-one (CID 103015543) is 3-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-one?
The canonical SMILES for 3-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-one is Cn1nccc1CCn1cnccc1=O.
What is the InChIKey of 3-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-one?
The InChIKey is BNHBQMSHXQYGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-13-9(2-6-12-13)4-7-14-8-11-5-3-10(14)15/h2-3,5-6,8H,4,7H2,1H3.
What are the key properties of 3-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-one?
3-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-one has a molecular weight of 204.23 g/mol, XLogP of 0.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-one is sourced from PubChem (CID 103015543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).