1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-4-methylpiperidin-4-ol

C16H24N4O — CID 104733153

IUPAC1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(c2nccn3nc(C(C)(C)C)cc23)CC1
InChIInChI=1S/C16H24N4O/c1-15(2,3)13-11-12-14(17-7-10-20(12)18-13)19-8-5-16(4,21)6-9-19/h7,10-11,21H,5-6,8-9H2,1-4H3
InChIKeyXJZIBDPAMGKMKJ-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.38
Rot. Bonds1

About 1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-4-methylpiperidin-4-ol

1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-4-methylpiperidin-4-ol (PubChem CID 104733153) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-4-methylpiperidin-4-ol
PubChem CID104733153
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(c2nccn3nc(C(C)(C)C)cc23)CC1
InChIInChI=1S/C16H24N4O/c1-15(2,3)13-11-12-14(17-7-10-20(12)18-13)19-8-5-16(4,21)6-9-19/h7,10-11,21H,5-6,8-9H2,1-4H3
InChIKeyXJZIBDPAMGKMKJ-UHFFFAOYSA-N
XLogP2.38
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-4-methylpiperidin-4-ol?
The IUPAC name of 1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-4-methylpiperidin-4-ol (CID 104733153) is 1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-4-methylpiperidin-4-ol?
The canonical SMILES for 1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-4-methylpiperidin-4-ol is CC1(O)CCN(c2nccn3nc(C(C)(C)C)cc23)CC1.
What is the InChIKey of 1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-4-methylpiperidin-4-ol?
The InChIKey is XJZIBDPAMGKMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-15(2,3)13-11-12-14(17-7-10-20(12)18-13)19-8-5-16(4,21)6-9-19/h7,10-11,21H,5-6,8-9H2,1-4H3.
What are the key properties of 1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-4-methylpiperidin-4-ol?
1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-4-methylpiperidin-4-ol has a molecular weight of 288.39 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-4-methylpiperidin-4-ol is sourced from PubChem (CID 104733153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).