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

C10H11ClN4O — CID 116618364

IUPAC1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]pyrimidin-2-one
SMILESCc1nn(C)c(Cn2cccnc2=O)c1Cl
InChIInChI=1S/C10H11ClN4O/c1-7-9(11)8(14(2)13-7)6-15-5-3-4-12-10(15)16/h3-5H,6H2,1-2H3
InChIKeyPCPLHVSJUJTKOF-UHFFFAOYSA-N
MW238.68 g/mol
LogP0.99
Rot. Bonds2

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

1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]pyrimidin-2-one (PubChem CID 116618364) has the molecular formula C10H11ClN4O and a molecular weight of 238.68 g/mol. Its IUPAC name is 1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]pyrimidin-2-one
PubChem CID116618364
Molecular FormulaC10H11ClN4O
Molecular Weight238.68 g/mol
Exact Mass238.06
IUPAC Name1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]pyrimidin-2-one
SMILESCc1nn(C)c(Cn2cccnc2=O)c1Cl
InChIInChI=1S/C10H11ClN4O/c1-7-9(11)8(14(2)13-7)6-15-5-3-4-12-10(15)16/h3-5H,6H2,1-2H3
InChIKeyPCPLHVSJUJTKOF-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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Related Compounds

1-[(4-Chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-ethenyltetrazol-5-one
CID 21185205
1-[(5-Chloro-1,3-dimethylpyrazol-4-yl)methyl]pyrimidin-2-one
CID 60796216
5-Amino-1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]pyridin-2-one
CID 65858580
1-[(4-Bromo-1,3-dimethylpyrazol-5-yl)methyl]pyrimidin-2-one
CID 65860107
3-Amino-1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]pyridin-2-one
CID 65862155
3-Amino-1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyridin-2-one
CID 65868324
5-Amino-1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyridin-2-one
CID 65869688
1-[(4-Bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrimidin-2-one
CID 65871362
1-[(4-Chloro-1,3-dimethylpyrazol-5-yl)methyl]pyrimidine-2,4-dione
CID 65871822
3-[(4-Chloro-1,3-dimethylpyrazol-5-yl)methyl]-1-ethylpyrimidine-2,4-dione
CID 65871823
3-[(4-Chloro-1,3-dimethylpyrazol-5-yl)methyl]-1-methylpyrimidine-2,4-dione
CID 65871824
3-[(4-Chloro-1,3-dimethylpyrazol-5-yl)methyl]-1-propylpyrimidine-2,4-dione
CID 65872024

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]pyrimidin-2-one?
The IUPAC name of 1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]pyrimidin-2-one (CID 116618364) is 1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]pyrimidin-2-one.
What is the SMILES notation for 1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]pyrimidin-2-one?
The canonical SMILES for 1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]pyrimidin-2-one is Cc1nn(C)c(Cn2cccnc2=O)c1Cl.
What is the InChIKey of 1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]pyrimidin-2-one?
The InChIKey is PCPLHVSJUJTKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O/c1-7-9(11)8(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-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]pyrimidin-2-one?
1-[(4-chloro-1,3-dimethylpyrazol-5-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-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]pyrimidin-2-one is sourced from PubChem (CID 116618364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).