2-(6-chloropyrimidin-4-yl)-3-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-one

C11H9ClN4O — CID 134439825

IUPAC2-(6-chloropyrimidin-4-yl)-3-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-one
SMILESCc1c2c(nn1-c1cc(Cl)ncn1)CCC2=O
InChIInChI=1S/C11H9ClN4O/c1-6-11-7(2-3-8(11)17)15-16(6)10-4-9(12)13-5-14-10/h4-5H,2-3H2,1H3
InChIKeyBZMAEJICOYTBMC-UHFFFAOYSA-N
MW248.67 g/mol
LogP1.75
Rot. Bonds1

About 2-(6-chloropyrimidin-4-yl)-3-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-one

2-(6-chloropyrimidin-4-yl)-3-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-one (PubChem CID 134439825) has the molecular formula C11H9ClN4O and a molecular weight of 248.67 g/mol. Its IUPAC name is 2-(6-chloropyrimidin-4-yl)-3-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-one.

Molecular Properties

Compound Name2-(6-chloropyrimidin-4-yl)-3-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-one
PubChem CID134439825
Molecular FormulaC11H9ClN4O
Molecular Weight248.67 g/mol
Exact Mass248.05
IUPAC Name2-(6-chloropyrimidin-4-yl)-3-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-one
SMILESCc1c2c(nn1-c1cc(Cl)ncn1)CCC2=O
InChIInChI=1S/C11H9ClN4O/c1-6-11-7(2-3-8(11)17)15-16(6)10-4-9(12)13-5-14-10/h4-5H,2-3H2,1H3
InChIKeyBZMAEJICOYTBMC-UHFFFAOYSA-N
XLogP1.75
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-chloropyrimidin-4-yl)-3,5-dimethylpyrazole-4-carbaldehyde
CID 134439833
4-chloro-6-(4-methoxy-3,5-dimethylpyrazol-1-yl)pyrimidine
CID 134440068
1-(6-chloropyrimidin-4-yl)piperidin-4-one;ethene
CID 22000286
2-(6-chloropyrimidin-4-yl)-5-methylpyrazol-3-amine
CID 45480472
4-chloro-6-[5-(difluoromethyl)-3-methylpyrazol-1-yl]pyrimidine
CID 131466801
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-chloro-6-(3-nitro-1,2,4-triazol-1-yl)pyrimidine
CID 129319403
3-chloro-2-(6-methylpyrimidin-4-yl)-4,6-dihydrothieno[3,4-c]pyrazole
CID 83191827
1-[4-(6-chloropyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone
CID 55002987
(3aR,6aS)-5-(6-chloropyrimidin-4-yl)-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 129359487
(3aR,6aR)-2-(6-chloropyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 129380883

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloropyrimidin-4-yl)-3-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-one?
The IUPAC name of 2-(6-chloropyrimidin-4-yl)-3-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-one (CID 134439825) is 2-(6-chloropyrimidin-4-yl)-3-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-one.
What is the SMILES notation for 2-(6-chloropyrimidin-4-yl)-3-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-one?
The canonical SMILES for 2-(6-chloropyrimidin-4-yl)-3-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-one is Cc1c2c(nn1-c1cc(Cl)ncn1)CCC2=O.
What is the InChIKey of 2-(6-chloropyrimidin-4-yl)-3-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-one?
The InChIKey is BZMAEJICOYTBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O/c1-6-11-7(2-3-8(11)17)15-16(6)10-4-9(12)13-5-14-10/h4-5H,2-3H2,1H3.
What are the key properties of 2-(6-chloropyrimidin-4-yl)-3-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-one?
2-(6-chloropyrimidin-4-yl)-3-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-one has a molecular weight of 248.67 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloropyrimidin-4-yl)-3-methyl-5,6-dihydrocyclopenta[c]pyrazol-4-one is sourced from PubChem (CID 134439825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).