4-chloro-6-(4-methoxy-3,5-dimethylpyrazol-1-yl)pyrimidine

C10H11ClN4O — CID 134440068

IUPAC4-chloro-6-(4-methoxy-3,5-dimethylpyrazol-1-yl)pyrimidine
SMILESCOc1c(C)nn(-c2cc(Cl)ncn2)c1C
InChIInChI=1S/C10H11ClN4O/c1-6-10(16-3)7(2)15(14-6)9-4-8(11)12-5-13-9/h4-5H,1-3H3
InChIKeyCKWQLWOUEJGONW-UHFFFAOYSA-N
MW238.68 g/mol
LogP1.94
Rot. Bonds2

About 4-chloro-6-(4-methoxy-3,5-dimethylpyrazol-1-yl)pyrimidine

4-chloro-6-(4-methoxy-3,5-dimethylpyrazol-1-yl)pyrimidine (PubChem CID 134440068) has the molecular formula C10H11ClN4O and a molecular weight of 238.68 g/mol. Its IUPAC name is 4-chloro-6-(4-methoxy-3,5-dimethylpyrazol-1-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(4-methoxy-3,5-dimethylpyrazol-1-yl)pyrimidine
PubChem CID134440068
Molecular FormulaC10H11ClN4O
Molecular Weight238.68 g/mol
Exact Mass238.06
IUPAC Name4-chloro-6-(4-methoxy-3,5-dimethylpyrazol-1-yl)pyrimidine
SMILESCOc1c(C)nn(-c2cc(Cl)ncn2)c1C
InChIInChI=1S/C10H11ClN4O/c1-6-10(16-3)7(2)15(14-6)9-4-8(11)12-5-13-9/h4-5H,1-3H3
InChIKeyCKWQLWOUEJGONW-UHFFFAOYSA-N
XLogP1.94
TPSA52.83 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 ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-chloro-6-(4-methoxy-3,5-dimethylpyrazol-1-yl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(6-chloropyrimidin-4-yl)-3,5-dimethylpyrazole-4-carbaldehyde
CID 134439833
2-(6-chloropyrimidin-4-yl)-5-methylpyrazol-3-amine
CID 45480472
1-(6-chloropyrimidin-4-yl)-3-methylpyrazolo[5,4-c]pyridine
CID 134440560
1-(6-chloropyrimidin-4-yl)-3-methylpyrazolo[4,5-c]pyridine
CID 134439991
4-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-6-(4-methoxy-3,5-dimethylpyrazol-1-yl)pyrimidine
CID 157348418
2-(6-chloropyrimidin-4-yl)-3-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-one
CID 134439825
1-(6-methoxypyrimidin-4-yl)-3,5-dimethylpyrazol-4-amine
CID 66320104
4-chloro-6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]pyrimidine
CID 131466801
4-[4-methoxy-5-[[6-(4-methoxy-3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]methyl]-1-methylpyrazol-3-yl]benzonitrile
CID 148787519
4-chloro-6-(4-methoxypiperidin-1-yl)pyrimidine
CID 22309693
6-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[4-(difluoromethoxy)-5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrimidin-4-amine
CID 134440106
4,6-dichloro-5-methoxypyrimidine;ethane
CID 144589632

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-methoxy-3,5-dimethylpyrazol-1-yl)pyrimidine?
The IUPAC name of 4-chloro-6-(4-methoxy-3,5-dimethylpyrazol-1-yl)pyrimidine (CID 134440068) is 4-chloro-6-(4-methoxy-3,5-dimethylpyrazol-1-yl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(4-methoxy-3,5-dimethylpyrazol-1-yl)pyrimidine?
The canonical SMILES for 4-chloro-6-(4-methoxy-3,5-dimethylpyrazol-1-yl)pyrimidine is COc1c(C)nn(-c2cc(Cl)ncn2)c1C.
What is the InChIKey of 4-chloro-6-(4-methoxy-3,5-dimethylpyrazol-1-yl)pyrimidine?
The InChIKey is CKWQLWOUEJGONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O/c1-6-10(16-3)7(2)15(14-6)9-4-8(11)12-5-13-9/h4-5H,1-3H3.
What are the key properties of 4-chloro-6-(4-methoxy-3,5-dimethylpyrazol-1-yl)pyrimidine?
4-chloro-6-(4-methoxy-3,5-dimethylpyrazol-1-yl)pyrimidine has a molecular weight of 238.68 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-methoxy-3,5-dimethylpyrazol-1-yl)pyrimidine is sourced from PubChem (CID 134440068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).