6-(2-hydroxyethyl)-2-(3-methoxyphenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C16H17N3O3 — CID 82271735

IUPAC6-(2-hydroxyethyl)-2-(3-methoxyphenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1cccc(-c2cc3nc(C)c(CCO)c(=O)n3[nH]2)c1
InChIInChI=1S/C16H17N3O3/c1-10-13(6-7-20)16(21)19-15(17-10)9-14(18-19)11-4-3-5-12(8-11)22-2/h3-5,8-9,18,20H,6-7H2,1-2H3
InChIKeySJWSIKCAOFDSMQ-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.54
Rot. Bonds4

About 6-(2-hydroxyethyl)-2-(3-methoxyphenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-(2-hydroxyethyl)-2-(3-methoxyphenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 82271735) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 6-(2-hydroxyethyl)-2-(3-methoxyphenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2-hydroxyethyl)-2-(3-methoxyphenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID82271735
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name6-(2-hydroxyethyl)-2-(3-methoxyphenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1cccc(-c2cc3nc(C)c(CCO)c(=O)n3[nH]2)c1
InChIInChI=1S/C16H17N3O3/c1-10-13(6-7-20)16(21)19-15(17-10)9-14(18-19)11-4-3-5-12(8-11)22-2/h3-5,8-9,18,20H,6-7H2,1-2H3
InChIKeySJWSIKCAOFDSMQ-UHFFFAOYSA-N
XLogP1.54
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(2-hydroxyethyl)-2-(3-methoxyphenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-[5-methyl-2-(3-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propanoate
CID 845863
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
6-(2-aminoethyl)-5-methyl-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271828
2-(3-methoxyphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270130
2-(3-chlorophenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 784601
2-(4-chlorophenyl)-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 761950
2-(3-methoxyphenyl)-5-pyrrolidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271162
2-ethyl-6-(2-hydroxyethyl)-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 17168379
2-(4-chlorophenyl)-6-methoxy-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 146424002
6-(2-hydroxyethyl)-5-methyl-2-(oxolan-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271719
2-[4-(3-methoxyphenyl)phenyl]ethanol
CID 2759703

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethyl)-2-(3-methoxyphenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-(2-hydroxyethyl)-2-(3-methoxyphenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 82271735) is 6-(2-hydroxyethyl)-2-(3-methoxyphenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-(2-hydroxyethyl)-2-(3-methoxyphenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-(2-hydroxyethyl)-2-(3-methoxyphenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1cccc(-c2cc3nc(C)c(CCO)c(=O)n3[nH]2)c1.
What is the InChIKey of 6-(2-hydroxyethyl)-2-(3-methoxyphenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is SJWSIKCAOFDSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-10-13(6-7-20)16(21)19-15(17-10)9-14(18-19)11-4-3-5-12(8-11)22-2/h3-5,8-9,18,20H,6-7H2,1-2H3.
What are the key properties of 6-(2-hydroxyethyl)-2-(3-methoxyphenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-(2-hydroxyethyl)-2-(3-methoxyphenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 299.33 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethyl)-2-(3-methoxyphenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 82271735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).