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

C16H17N3O2 — CID 43814268

IUPAC2-(3-methoxyphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc(=O)n2[nH]c(-c3cccc(OC)c3)cc2n1
InChIInChI=1S/C16H17N3O2/c1-3-5-12-9-16(20)19-15(17-12)10-14(18-19)11-6-4-7-13(8-11)21-2/h4,6-10,18H,3,5H2,1-2H3
InChIKeyXIVAWJXMPVMSEW-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.65
Rot. Bonds4

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

2-(3-methoxyphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 43814268) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID43814268
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-(3-methoxyphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc(=O)n2[nH]c(-c3cccc(OC)c3)cc2n1
InChIInChI=1S/C16H17N3O2/c1-3-5-12-9-16(20)19-15(17-12)10-14(18-19)11-6-4-7-13(8-11)21-2/h4,6-10,18H,3,5H2,1-2H3
InChIKeyXIVAWJXMPVMSEW-UHFFFAOYSA-N
XLogP2.65
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-2-(3-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271004
2-(4-methoxyphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 1084420
2-(3-methoxyphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270130
2-(4-methylphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 652947
2-(3-methoxyphenyl)-5-pyrrolidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271162
6-(2-hydroxyethyl)-2-(3-methoxyphenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271735
7-chloro-2-(3-methoxyphenyl)-5-propylpyrazolo[1,5-a]pyrimidine
CID 82269959
5-(methoxymethyl)-2-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 761945
2-(3-methoxyphenyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
CID 117133032
5-[1-(3-methoxyphenoxy)ethyl]-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 172666274
5-[[(4-ethoxyphenyl)methyl-(2-methoxyethyl)amino]methyl]-2-(3-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 46382059
2-(3-chlorophenyl)-5-(pyrazol-1-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 92568407

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(3-methoxyphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 43814268) is 2-(3-methoxyphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(3-methoxyphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(3-methoxyphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCCc1cc(=O)n2[nH]c(-c3cccc(OC)c3)cc2n1.
What is the InChIKey of 2-(3-methoxyphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is XIVAWJXMPVMSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-3-5-12-9-16(20)19-15(17-12)10-14(18-19)11-6-4-7-13(8-11)21-2/h4,6-10,18H,3,5H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-(3-methoxyphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 283.33 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 43814268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).