2-[(2-methylpyrazol-3-yl)methyl]-1H-pyrimidin-6-one

C9H10N4O — CID 148895393

IUPAC2-[(2-methylpyrazol-3-yl)methyl]-1H-pyrimidin-6-one
SMILESCn1nccc1Cc1nccc(=O)[nH]1
InChIInChI=1S/C9H10N4O/c1-13-7(2-5-11-13)6-8-10-4-3-9(14)12-8/h2-5H,6H2,1H3,(H,10,12,14)
InChIKeyPFTJIDJNKOKAOE-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.09
Rot. Bonds2

About 2-[(2-methylpyrazol-3-yl)methyl]-1H-pyrimidin-6-one

2-[(2-methylpyrazol-3-yl)methyl]-1H-pyrimidin-6-one (PubChem CID 148895393) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 2-[(2-methylpyrazol-3-yl)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2-methylpyrazol-3-yl)methyl]-1H-pyrimidin-6-one
PubChem CID148895393
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name2-[(2-methylpyrazol-3-yl)methyl]-1H-pyrimidin-6-one
SMILESCn1nccc1Cc1nccc(=O)[nH]1
InChIInChI=1S/C9H10N4O/c1-13-7(2-5-11-13)6-8-10-4-3-9(14)12-8/h2-5H,6H2,1H3,(H,10,12,14)
InChIKeyPFTJIDJNKOKAOE-UHFFFAOYSA-N
XLogP0.09
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpyrazol-3-yl)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2-methylpyrazol-3-yl)methyl]-1H-pyrimidin-6-one (CID 148895393) is 2-[(2-methylpyrazol-3-yl)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2-methylpyrazol-3-yl)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2-methylpyrazol-3-yl)methyl]-1H-pyrimidin-6-one is Cn1nccc1Cc1nccc(=O)[nH]1.
What is the InChIKey of 2-[(2-methylpyrazol-3-yl)methyl]-1H-pyrimidin-6-one?
The InChIKey is PFTJIDJNKOKAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-13-7(2-5-11-13)6-8-10-4-3-9(14)12-8/h2-5H,6H2,1H3,(H,10,12,14).
What are the key properties of 2-[(2-methylpyrazol-3-yl)methyl]-1H-pyrimidin-6-one?
2-[(2-methylpyrazol-3-yl)methyl]-1H-pyrimidin-6-one has a molecular weight of 190.21 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpyrazol-3-yl)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 148895393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).