1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-ol

C19H22N4O2 — CID 3229908

IUPAC1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-ol
SMILESCOc1ccc(-c2cc3nc(C)cc(N4CCCC(O)C4)n3n2)cc1
InChIInChI=1S/C19H22N4O2/c1-13-10-19(22-9-3-4-15(24)12-22)23-18(20-13)11-17(21-23)14-5-7-16(25-2)8-6-14/h5-8,10-11,15,24H,3-4,9,12H2,1-2H3
InChIKeyIHLCPBJMROVUTH-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.67
Rot. Bonds3

About 1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-ol

1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-ol (PubChem CID 3229908) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-ol.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-ol
PubChem CID3229908
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-ol
SMILESCOc1ccc(-c2cc3nc(C)cc(N4CCCC(O)C4)n3n2)cc1
InChIInChI=1S/C19H22N4O2/c1-13-10-19(22-9-3-4-15(24)12-22)23-18(20-13)11-17(21-23)14-5-7-16(25-2)8-6-14/h5-8,10-11,15,24H,3-4,9,12H2,1-2H3
InChIKeyIHLCPBJMROVUTH-UHFFFAOYSA-N
XLogP2.67
TPSA62.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-ol?
The IUPAC name of 1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-ol (CID 3229908) is 1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-ol.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-ol?
The canonical SMILES for 1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-ol is COc1ccc(-c2cc3nc(C)cc(N4CCCC(O)C4)n3n2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-ol?
The InChIKey is IHLCPBJMROVUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13-10-19(22-9-3-4-15(24)12-22)23-18(20-13)11-17(21-23)14-5-7-16(25-2)8-6-14/h5-8,10-11,15,24H,3-4,9,12H2,1-2H3.
What are the key properties of 1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-ol?
1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-ol has a molecular weight of 338.41 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-ol is sourced from PubChem (CID 3229908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).