2-(4-methoxyphenyl)-3-methyl-5-[(2R)-1-(5-methylpyrazol-1-yl)propan-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C21H23N5O2 — CID 98139098

IUPAC2-(4-methoxyphenyl)-3-methyl-5-[(2R)-1-(5-methylpyrazol-1-yl)propan-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2[nH]n3c(=O)cc([C@H](C)Cn4nccc4C)nc3c2C)cc1
InChIInChI=1S/C21H23N5O2/c1-13(12-25-14(2)9-10-22-25)18-11-19(27)26-21(23-18)15(3)20(24-26)16-5-7-17(28-4)8-6-16/h5-11,13,24H,12H2,1-4H3/t13-/m1/s1
InChIKeyOYSLKFMVXOWMKQ-CYBMUJFWSA-N
MW377.45 g/mol
LogP3.32
Rot. Bonds5

About 2-(4-methoxyphenyl)-3-methyl-5-[(2R)-1-(5-methylpyrazol-1-yl)propan-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-(4-methoxyphenyl)-3-methyl-5-[(2R)-1-(5-methylpyrazol-1-yl)propan-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 98139098) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-methyl-5-[(2R)-1-(5-methylpyrazol-1-yl)propan-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-methyl-5-[(2R)-1-(5-methylpyrazol-1-yl)propan-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID98139098
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name2-(4-methoxyphenyl)-3-methyl-5-[(2R)-1-(5-methylpyrazol-1-yl)propan-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2[nH]n3c(=O)cc([C@H](C)Cn4nccc4C)nc3c2C)cc1
InChIInChI=1S/C21H23N5O2/c1-13(12-25-14(2)9-10-22-25)18-11-19(27)26-21(23-18)15(3)20(24-26)16-5-7-17(28-4)8-6-16/h5-11,13,24H,12H2,1-4H3/t13-/m1/s1
InChIKeyOYSLKFMVXOWMKQ-CYBMUJFWSA-N
XLogP3.32
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-methyl-5-[(2R)-1-(5-methylpyrazol-1-yl)propan-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(4-methoxyphenyl)-3-methyl-5-[(2R)-1-(5-methylpyrazol-1-yl)propan-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 98139098) is 2-(4-methoxyphenyl)-3-methyl-5-[(2R)-1-(5-methylpyrazol-1-yl)propan-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-methyl-5-[(2R)-1-(5-methylpyrazol-1-yl)propan-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(4-methoxyphenyl)-3-methyl-5-[(2R)-1-(5-methylpyrazol-1-yl)propan-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1ccc(-c2[nH]n3c(=O)cc([C@H](C)Cn4nccc4C)nc3c2C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-methyl-5-[(2R)-1-(5-methylpyrazol-1-yl)propan-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is OYSLKFMVXOWMKQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-13(12-25-14(2)9-10-22-25)18-11-19(27)26-21(23-18)15(3)20(24-26)16-5-7-17(28-4)8-6-16/h5-11,13,24H,12H2,1-4H3/t13-/m1/s1.
What are the key properties of 2-(4-methoxyphenyl)-3-methyl-5-[(2R)-1-(5-methylpyrazol-1-yl)propan-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-(4-methoxyphenyl)-3-methyl-5-[(2R)-1-(5-methylpyrazol-1-yl)propan-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 377.45 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-methyl-5-[(2R)-1-(5-methylpyrazol-1-yl)propan-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 98139098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).