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

C17H18N4O2 — CID 82271162

IUPAC2-(3-methoxyphenyl)-5-pyrrolidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1cccc(-c2cc3nc(C4CCCN4)cc(=O)n3[nH]2)c1
InChIInChI=1S/C17H18N4O2/c1-23-12-5-2-4-11(8-12)14-9-16-19-15(13-6-3-7-18-13)10-17(22)21(16)20-14/h2,4-5,8-10,13,18,20H,3,6-7H2,1H3
InChIKeyHETALMCRVHNDDF-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.12
Rot. Bonds3

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

2-(3-methoxyphenyl)-5-pyrrolidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 82271162) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-5-pyrrolidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-5-pyrrolidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID82271162
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name2-(3-methoxyphenyl)-5-pyrrolidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1cccc(-c2cc3nc(C4CCCN4)cc(=O)n3[nH]2)c1
InChIInChI=1S/C17H18N4O2/c1-23-12-5-2-4-11(8-12)14-9-16-19-15(13-6-3-7-18-13)10-17(22)21(16)20-14/h2,4-5,8-10,13,18,20H,3,6-7H2,1H3
InChIKeyHETALMCRVHNDDF-UHFFFAOYSA-N
XLogP2.12
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methoxyphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 43814268
5-(aminomethyl)-2-(3-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271004
2-cyclohexyl-5-pyrrolidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271147
2-(3-methoxyphenyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
CID 117133032
4-(3-methoxyphenyl)-5-[(2S)-pyrrolidin-2-yl]-1H-pyrazole
CID 95839872
2-(3-methoxyphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270130
6-(2-hydroxyethyl)-2-(3-methoxyphenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271735
5-[1-(3-methoxyphenoxy)ethyl]-2-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 172666274
5-(3-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one
CID 168995154
5-(3-methoxyphenyl)-4-[(2R)-pyrrolidin-2-yl]pyrimidin-2-amine
CID 95814820
3-(3-methoxyphenyl)-1H-[1,2,4]triazolo[4,3-a]pyridin-5-one
CID 117142208
5-cyclohex-3-en-1-yl-3-(3-methoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 172673795

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-5-pyrrolidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(3-methoxyphenyl)-5-pyrrolidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 82271162) is 2-(3-methoxyphenyl)-5-pyrrolidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(3-methoxyphenyl)-5-pyrrolidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(3-methoxyphenyl)-5-pyrrolidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1cccc(-c2cc3nc(C4CCCN4)cc(=O)n3[nH]2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-5-pyrrolidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is HETALMCRVHNDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-23-12-5-2-4-11(8-12)14-9-16-19-15(13-6-3-7-18-13)10-17(22)21(16)20-14/h2,4-5,8-10,13,18,20H,3,6-7H2,1H3.
What are the key properties of 2-(3-methoxyphenyl)-5-pyrrolidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-(3-methoxyphenyl)-5-pyrrolidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 310.36 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-5-pyrrolidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 82271162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).