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

C18H17N5O3 — CID 98133043

IUPAC2-(methoxymethyl)-3-(4-methoxyphenyl)-5-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOCc1[nH]n2c(=O)cc(-c3ccn[nH]3)nc2c1-c1ccc(OC)cc1
InChIInChI=1S/C18H17N5O3/c1-25-10-15-17(11-3-5-12(26-2)6-4-11)18-20-14(13-7-8-19-21-13)9-16(24)23(18)22-15/h3-9,22H,10H2,1-2H3,(H,19,21)
InChIKeyQZZAUHKRFDGNJV-UHFFFAOYSA-N
MW351.37 g/mol
LogP2.23
Rot. Bonds5

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

2-(methoxymethyl)-3-(4-methoxyphenyl)-5-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 98133043) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is 2-(methoxymethyl)-3-(4-methoxyphenyl)-5-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(methoxymethyl)-3-(4-methoxyphenyl)-5-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID98133043
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name2-(methoxymethyl)-3-(4-methoxyphenyl)-5-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOCc1[nH]n2c(=O)cc(-c3ccn[nH]3)nc2c1-c1ccc(OC)cc1
InChIInChI=1S/C18H17N5O3/c1-25-10-15-17(11-3-5-12(26-2)6-4-11)18-20-14(13-7-8-19-21-13)9-16(24)23(18)22-15/h3-9,22H,10H2,1-2H3,(H,19,21)
InChIKeyQZZAUHKRFDGNJV-UHFFFAOYSA-N
XLogP2.23
TPSA97.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-3-(4-methoxyphenyl)-5-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(methoxymethyl)-3-(4-methoxyphenyl)-5-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 98133043) is 2-(methoxymethyl)-3-(4-methoxyphenyl)-5-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(methoxymethyl)-3-(4-methoxyphenyl)-5-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(methoxymethyl)-3-(4-methoxyphenyl)-5-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is COCc1[nH]n2c(=O)cc(-c3ccn[nH]3)nc2c1-c1ccc(OC)cc1.
What is the InChIKey of 2-(methoxymethyl)-3-(4-methoxyphenyl)-5-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is QZZAUHKRFDGNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c1-25-10-15-17(11-3-5-12(26-2)6-4-11)18-20-14(13-7-8-19-21-13)9-16(24)23(18)22-15/h3-9,22H,10H2,1-2H3,(H,19,21).
What are the key properties of 2-(methoxymethyl)-3-(4-methoxyphenyl)-5-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-(methoxymethyl)-3-(4-methoxyphenyl)-5-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 351.37 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-3-(4-methoxyphenyl)-5-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 98133043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).