2-(4-chlorophenyl)-6-methoxy-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C14H12ClN3O2 — CID 146424002

IUPAC2-(4-chlorophenyl)-6-methoxy-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1c(C)nc2cc(-c3ccc(Cl)cc3)[nH]n2c1=O
InChIInChI=1S/C14H12ClN3O2/c1-8-13(20-2)14(19)18-12(16-8)7-11(17-18)9-3-5-10(15)6-4-9/h3-7,17H,1-2H3
InChIKeyDRYVRFXQTDUSFV-UHFFFAOYSA-N
MW289.72 g/mol
LogP2.66
Rot. Bonds2

About 2-(4-chlorophenyl)-6-methoxy-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-(4-chlorophenyl)-6-methoxy-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 146424002) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-methoxy-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-methoxy-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID146424002
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC Name2-(4-chlorophenyl)-6-methoxy-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1c(C)nc2cc(-c3ccc(Cl)cc3)[nH]n2c1=O
InChIInChI=1S/C14H12ClN3O2/c1-8-13(20-2)14(19)18-12(16-8)7-11(17-18)9-3-5-10(15)6-4-9/h3-7,17H,1-2H3
InChIKeyDRYVRFXQTDUSFV-UHFFFAOYSA-N
XLogP2.66
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-methoxy-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(4-chlorophenyl)-6-methoxy-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 146424002) is 2-(4-chlorophenyl)-6-methoxy-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(4-chlorophenyl)-6-methoxy-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(4-chlorophenyl)-6-methoxy-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1c(C)nc2cc(-c3ccc(Cl)cc3)[nH]n2c1=O.
What is the InChIKey of 2-(4-chlorophenyl)-6-methoxy-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is DRYVRFXQTDUSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c1-8-13(20-2)14(19)18-12(16-8)7-11(17-18)9-3-5-10(15)6-4-9/h3-7,17H,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-6-methoxy-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-(4-chlorophenyl)-6-methoxy-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 289.72 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-methoxy-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 146424002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).