2-(2-methoxyphenyl)-3-methyl-5-(2-pyrazol-1-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C20H21N5O2 — CID 110243886

IUPAC2-(2-methoxyphenyl)-3-methyl-5-(2-pyrazol-1-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccccc1-c1[nH]n2c(=O)cc(CC(C)n3cccn3)nc2c1C
InChIInChI=1S/C20H21N5O2/c1-13(24-10-6-9-21-24)11-15-12-18(26)25-20(22-15)14(2)19(23-25)16-7-4-5-8-17(16)27-3/h4-10,12-13,23H,11H2,1-3H3
InChIKeyCXMPCKQRSXASOM-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.01
Rot. Bonds5

About 2-(2-methoxyphenyl)-3-methyl-5-(2-pyrazol-1-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-(2-methoxyphenyl)-3-methyl-5-(2-pyrazol-1-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 110243886) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-3-methyl-5-(2-pyrazol-1-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-3-methyl-5-(2-pyrazol-1-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID110243886
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name2-(2-methoxyphenyl)-3-methyl-5-(2-pyrazol-1-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccccc1-c1[nH]n2c(=O)cc(CC(C)n3cccn3)nc2c1C
InChIInChI=1S/C20H21N5O2/c1-13(24-10-6-9-21-24)11-15-12-18(26)25-20(22-15)14(2)19(23-25)16-7-4-5-8-17(16)27-3/h4-10,12-13,23H,11H2,1-3H3
InChIKeyCXMPCKQRSXASOM-UHFFFAOYSA-N
XLogP3.01
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-3-methyl-5-(2-pyrazol-1-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(2-methoxyphenyl)-3-methyl-5-(2-pyrazol-1-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 110243886) is 2-(2-methoxyphenyl)-3-methyl-5-(2-pyrazol-1-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(2-methoxyphenyl)-3-methyl-5-(2-pyrazol-1-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(2-methoxyphenyl)-3-methyl-5-(2-pyrazol-1-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1ccccc1-c1[nH]n2c(=O)cc(CC(C)n3cccn3)nc2c1C.
What is the InChIKey of 2-(2-methoxyphenyl)-3-methyl-5-(2-pyrazol-1-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is CXMPCKQRSXASOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-13(24-10-6-9-21-24)11-15-12-18(26)25-20(22-15)14(2)19(23-25)16-7-4-5-8-17(16)27-3/h4-10,12-13,23H,11H2,1-3H3.
What are the key properties of 2-(2-methoxyphenyl)-3-methyl-5-(2-pyrazol-1-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-(2-methoxyphenyl)-3-methyl-5-(2-pyrazol-1-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 363.42 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-3-methyl-5-(2-pyrazol-1-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 110243886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).