1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-2-one

C10H11ClN4O — CID 60796216

IUPAC1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-2-one
SMILESCc1nn(C)c(Cl)c1Cn1cccnc1=O
InChIInChI=1S/C10H11ClN4O/c1-7-8(9(11)14(2)13-7)6-15-5-3-4-12-10(15)16/h3-5H,6H2,1-2H3
InChIKeyYCNWXBNSIXZXLK-UHFFFAOYSA-N
MW238.68 g/mol
LogP0.99
Rot. Bonds2

About 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-2-one

1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-2-one (PubChem CID 60796216) has the molecular formula C10H11ClN4O and a molecular weight of 238.68 g/mol. Its IUPAC name is 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-2-one
PubChem CID60796216
Molecular FormulaC10H11ClN4O
Molecular Weight238.68 g/mol
Exact Mass238.06
IUPAC Name1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-2-one
SMILESCc1nn(C)c(Cl)c1Cn1cccnc1=O
InChIInChI=1S/C10H11ClN4O/c1-7-8(9(11)14(2)13-7)6-15-5-3-4-12-10(15)16/h3-5H,6H2,1-2H3
InChIKeyYCNWXBNSIXZXLK-UHFFFAOYSA-N
XLogP0.99
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.68
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-2-one?
The IUPAC name of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-2-one (CID 60796216) is 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-2-one.
What is the SMILES notation for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-2-one?
The canonical SMILES for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-2-one is Cc1nn(C)c(Cl)c1Cn1cccnc1=O.
What is the InChIKey of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-2-one?
The InChIKey is YCNWXBNSIXZXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O/c1-7-8(9(11)14(2)13-7)6-15-5-3-4-12-10(15)16/h3-5H,6H2,1-2H3.
What are the key properties of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-2-one?
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-2-one has a molecular weight of 238.68 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-2-one is sourced from PubChem (CID 60796216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).