2-[1-(2-hydroxy-2-methylpropyl)-3-(2-methylpyrrolidin-1-yl)pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylethanone

C20H26N6O2 — CID 70801962

IUPAC2-[1-(2-hydroxy-2-methylpropyl)-3-(2-methylpyrrolidin-1-yl)pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylethanone
SMILESCC1CCCN1c1nn(CC(C)(C)O)cc1CC(=O)c1cnn2cccnc12
InChIInChI=1S/C20H26N6O2/c1-14-6-4-8-25(14)18-15(12-24(23-18)13-20(2,3)28)10-17(27)16-11-22-26-9-5-7-21-19(16)26/h5,7,9,11-12,14,28H,4,6,8,10,13H2,1-3H3
InChIKeyWVJGULIOLLSXDN-UHFFFAOYSA-N
MW382.47 g/mol
LogP2.11
Rot. Bonds6

About 2-[1-(2-hydroxy-2-methylpropyl)-3-(2-methylpyrrolidin-1-yl)pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylethanone

2-[1-(2-hydroxy-2-methylpropyl)-3-(2-methylpyrrolidin-1-yl)pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylethanone (PubChem CID 70801962) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 2-[1-(2-hydroxy-2-methylpropyl)-3-(2-methylpyrrolidin-1-yl)pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylethanone.

Molecular Properties

Compound Name2-[1-(2-hydroxy-2-methylpropyl)-3-(2-methylpyrrolidin-1-yl)pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylethanone
PubChem CID70801962
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name2-[1-(2-hydroxy-2-methylpropyl)-3-(2-methylpyrrolidin-1-yl)pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylethanone
SMILESCC1CCCN1c1nn(CC(C)(C)O)cc1CC(=O)c1cnn2cccnc12
InChIInChI=1S/C20H26N6O2/c1-14-6-4-8-25(14)18-15(12-24(23-18)13-20(2,3)28)10-17(27)16-11-22-26-9-5-7-21-19(16)26/h5,7,9,11-12,14,28H,4,6,8,10,13H2,1-3H3
InChIKeyWVJGULIOLLSXDN-UHFFFAOYSA-N
XLogP2.11
TPSA88.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxy-2-methylpropyl)-3-(2-methylpyrrolidin-1-yl)pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylethanone?
The IUPAC name of 2-[1-(2-hydroxy-2-methylpropyl)-3-(2-methylpyrrolidin-1-yl)pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylethanone (CID 70801962) is 2-[1-(2-hydroxy-2-methylpropyl)-3-(2-methylpyrrolidin-1-yl)pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylethanone.
What is the SMILES notation for 2-[1-(2-hydroxy-2-methylpropyl)-3-(2-methylpyrrolidin-1-yl)pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylethanone?
The canonical SMILES for 2-[1-(2-hydroxy-2-methylpropyl)-3-(2-methylpyrrolidin-1-yl)pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylethanone is CC1CCCN1c1nn(CC(C)(C)O)cc1CC(=O)c1cnn2cccnc12.
What is the InChIKey of 2-[1-(2-hydroxy-2-methylpropyl)-3-(2-methylpyrrolidin-1-yl)pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylethanone?
The InChIKey is WVJGULIOLLSXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-14-6-4-8-25(14)18-15(12-24(23-18)13-20(2,3)28)10-17(27)16-11-22-26-9-5-7-21-19(16)26/h5,7,9,11-12,14,28H,4,6,8,10,13H2,1-3H3.
What are the key properties of 2-[1-(2-hydroxy-2-methylpropyl)-3-(2-methylpyrrolidin-1-yl)pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylethanone?
2-[1-(2-hydroxy-2-methylpropyl)-3-(2-methylpyrrolidin-1-yl)pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylethanone has a molecular weight of 382.47 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxy-2-methylpropyl)-3-(2-methylpyrrolidin-1-yl)pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylethanone is sourced from PubChem (CID 70801962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).