(2-tert-butyl-7-methylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone

C17H24N4O — CID 24716889

IUPAC(2-tert-butyl-7-methylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone
SMILESCc1cc(C(=O)N2CCCCC2)nc2cc(C(C)(C)C)nn12
InChIInChI=1S/C17H24N4O/c1-12-10-13(16(22)20-8-6-5-7-9-20)18-15-11-14(17(2,3)4)19-21(12)15/h10-11H,5-9H2,1-4H3
InChIKeyJTBWCVNHYCMQJK-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.96
Rot. Bonds1

About (2-tert-butyl-7-methylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone

(2-tert-butyl-7-methylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone (PubChem CID 24716889) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is (2-tert-butyl-7-methylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(2-tert-butyl-7-methylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone
PubChem CID24716889
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name(2-tert-butyl-7-methylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone
SMILESCc1cc(C(=O)N2CCCCC2)nc2cc(C(C)(C)C)nn12
InChIInChI=1S/C17H24N4O/c1-12-10-13(16(22)20-8-6-5-7-9-20)18-15-11-14(17(2,3)4)19-21(12)15/h10-11H,5-9H2,1-4H3
InChIKeyJTBWCVNHYCMQJK-UHFFFAOYSA-N
XLogP2.96
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-7-methylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone?
The IUPAC name of (2-tert-butyl-7-methylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone (CID 24716889) is (2-tert-butyl-7-methylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (2-tert-butyl-7-methylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (2-tert-butyl-7-methylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone is Cc1cc(C(=O)N2CCCCC2)nc2cc(C(C)(C)C)nn12.
What is the InChIKey of (2-tert-butyl-7-methylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone?
The InChIKey is JTBWCVNHYCMQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-12-10-13(16(22)20-8-6-5-7-9-20)18-15-11-14(17(2,3)4)19-21(12)15/h10-11H,5-9H2,1-4H3.
What are the key properties of (2-tert-butyl-7-methylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone?
(2-tert-butyl-7-methylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone has a molecular weight of 300.41 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-7-methylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 24716889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).