4-methyl-1-(1H-pyrazol-4-ylmethyl)pyrimidin-2-one

C9H10N4O — CID 130569593

IUPAC4-methyl-1-(1H-pyrazol-4-ylmethyl)pyrimidin-2-one
SMILESCc1ccn(Cc2cn[nH]c2)c(=O)n1
InChIInChI=1S/C9H10N4O/c1-7-2-3-13(9(14)12-7)6-8-4-10-11-5-8/h2-5H,6H2,1H3,(H,10,11)
InChIKeyWGGZYGWGPFYTOK-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.32
Rot. Bonds2

About 4-methyl-1-(1H-pyrazol-4-ylmethyl)pyrimidin-2-one

4-methyl-1-(1H-pyrazol-4-ylmethyl)pyrimidin-2-one (PubChem CID 130569593) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 4-methyl-1-(1H-pyrazol-4-ylmethyl)pyrimidin-2-one.

Molecular Properties

Compound Name4-methyl-1-(1H-pyrazol-4-ylmethyl)pyrimidin-2-one
PubChem CID130569593
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name4-methyl-1-(1H-pyrazol-4-ylmethyl)pyrimidin-2-one
SMILESCc1ccn(Cc2cn[nH]c2)c(=O)n1
InChIInChI=1S/C9H10N4O/c1-7-2-3-13(9(14)12-7)6-8-4-10-11-5-8/h2-5H,6H2,1H3,(H,10,11)
InChIKeyWGGZYGWGPFYTOK-UHFFFAOYSA-N
XLogP0.32
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 ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1H-pyrazol-4-ylmethyl)pyrimidin-2-one?
The IUPAC name of 4-methyl-1-(1H-pyrazol-4-ylmethyl)pyrimidin-2-one (CID 130569593) is 4-methyl-1-(1H-pyrazol-4-ylmethyl)pyrimidin-2-one.
What is the SMILES notation for 4-methyl-1-(1H-pyrazol-4-ylmethyl)pyrimidin-2-one?
The canonical SMILES for 4-methyl-1-(1H-pyrazol-4-ylmethyl)pyrimidin-2-one is Cc1ccn(Cc2cn[nH]c2)c(=O)n1.
What is the InChIKey of 4-methyl-1-(1H-pyrazol-4-ylmethyl)pyrimidin-2-one?
The InChIKey is WGGZYGWGPFYTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-7-2-3-13(9(14)12-7)6-8-4-10-11-5-8/h2-5H,6H2,1H3,(H,10,11).
What are the key properties of 4-methyl-1-(1H-pyrazol-4-ylmethyl)pyrimidin-2-one?
4-methyl-1-(1H-pyrazol-4-ylmethyl)pyrimidin-2-one has a molecular weight of 190.21 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1H-pyrazol-4-ylmethyl)pyrimidin-2-one is sourced from PubChem (CID 130569593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).