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

C18H17N5O2 — CID 46973825

IUPAC2-(3-methoxyphenyl)-3-methyl-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1cccc(-c2[nH]n3c(=O)cc(-c4cnn(C)c4)nc3c2C)c1
InChIInChI=1S/C18H17N5O2/c1-11-17(12-5-4-6-14(7-12)25-3)21-23-16(24)8-15(20-18(11)23)13-9-19-22(2)10-13/h4-10,21H,1-3H3
InChIKeyYMBVVVRKXDSOIE-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.41
Rot. Bonds3

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

2-(3-methoxyphenyl)-3-methyl-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 46973825) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-3-methyl-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-3-methyl-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID46973825
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name2-(3-methoxyphenyl)-3-methyl-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1cccc(-c2[nH]n3c(=O)cc(-c4cnn(C)c4)nc3c2C)c1
InChIInChI=1S/C18H17N5O2/c1-11-17(12-5-4-6-14(7-12)25-3)21-23-16(24)8-15(20-18(11)23)13-9-19-22(2)10-13/h4-10,21H,1-3H3
InChIKeyYMBVVVRKXDSOIE-UHFFFAOYSA-N
XLogP2.41
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-3-methyl-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(3-methoxyphenyl)-3-methyl-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 46973825) is 2-(3-methoxyphenyl)-3-methyl-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(3-methoxyphenyl)-3-methyl-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(3-methoxyphenyl)-3-methyl-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1cccc(-c2[nH]n3c(=O)cc(-c4cnn(C)c4)nc3c2C)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-3-methyl-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is YMBVVVRKXDSOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-11-17(12-5-4-6-14(7-12)25-3)21-23-16(24)8-15(20-18(11)23)13-9-19-22(2)10-13/h4-10,21H,1-3H3.
What are the key properties of 2-(3-methoxyphenyl)-3-methyl-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-(3-methoxyphenyl)-3-methyl-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 335.37 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-3-methyl-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 46973825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).