(7-tert-butylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone

C16H22N4O — CID 53040943

IUPAC(7-tert-butylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone
SMILESCC(C)(C)c1cc(C(=O)N2CCCCC2)nc2ccnn12
InChIInChI=1S/C16H22N4O/c1-16(2,3)13-11-12(18-14-7-8-17-20(13)14)15(21)19-9-5-4-6-10-19/h7-8,11H,4-6,9-10H2,1-3H3
InChIKeyFGYDMMIXHCULQM-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.65
Rot. Bonds1

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

(7-tert-butylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone (PubChem CID 53040943) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is (7-tert-butylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(7-tert-butylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone
PubChem CID53040943
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name(7-tert-butylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone
SMILESCC(C)(C)c1cc(C(=O)N2CCCCC2)nc2ccnn12
InChIInChI=1S/C16H22N4O/c1-16(2,3)13-11-12(18-14-7-8-17-20(13)14)15(21)19-9-5-4-6-10-19/h7-8,11H,4-6,9-10H2,1-3H3
InChIKeyFGYDMMIXHCULQM-UHFFFAOYSA-N
XLogP2.65
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7-tert-butylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone?
The IUPAC name of (7-tert-butylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone (CID 53040943) is (7-tert-butylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (7-tert-butylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (7-tert-butylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone is CC(C)(C)c1cc(C(=O)N2CCCCC2)nc2ccnn12.
What is the InChIKey of (7-tert-butylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone?
The InChIKey is FGYDMMIXHCULQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-16(2,3)13-11-12(18-14-7-8-17-20(13)14)15(21)19-9-5-4-6-10-19/h7-8,11H,4-6,9-10H2,1-3H3.
What are the key properties of (7-tert-butylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone?
(7-tert-butylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone has a molecular weight of 286.38 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-tert-butylpyrazolo[1,5-a]pyrimidin-5-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 53040943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).