1-[2-(3-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-ol

C18H20N4O — CID 56771070

IUPAC1-[2-(3-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-ol
SMILESCc1cccc(-c2cc3c(N4CCC(O)CC4)nccn3n2)c1
InChIInChI=1S/C18H20N4O/c1-13-3-2-4-14(11-13)16-12-17-18(19-7-10-22(17)20-16)21-8-5-15(23)6-9-21/h2-4,7,10-12,15,23H,5-6,8-9H2,1H3
InChIKeyHHNCTNSSOWSMIK-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.67
Rot. Bonds2

About 1-[2-(3-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-ol

1-[2-(3-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-ol (PubChem CID 56771070) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 1-[2-(3-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-(3-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-ol
PubChem CID56771070
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name1-[2-(3-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-ol
SMILESCc1cccc(-c2cc3c(N4CCC(O)CC4)nccn3n2)c1
InChIInChI=1S/C18H20N4O/c1-13-3-2-4-14(11-13)16-12-17-18(19-7-10-22(17)20-16)21-8-5-15(23)6-9-21/h2-4,7,10-12,15,23H,5-6,8-9H2,1H3
InChIKeyHHNCTNSSOWSMIK-UHFFFAOYSA-N
XLogP2.67
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[2-(3-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-ol (CID 56771070) is 1-[2-(3-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[2-(3-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[2-(3-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-ol is Cc1cccc(-c2cc3c(N4CCC(O)CC4)nccn3n2)c1.
What is the InChIKey of 1-[2-(3-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-ol?
The InChIKey is HHNCTNSSOWSMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-13-3-2-4-14(11-13)16-12-17-18(19-7-10-22(17)20-16)21-8-5-15(23)6-9-21/h2-4,7,10-12,15,23H,5-6,8-9H2,1H3.
What are the key properties of 1-[2-(3-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-ol?
1-[2-(3-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-ol has a molecular weight of 308.39 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-ol is sourced from PubChem (CID 56771070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).