2-[1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-2-yl]ethanol

C20H23ClN4O — CID 3229907

IUPAC2-[1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-2-yl]ethanol
SMILESCc1cc(N2CCCCC2CCO)n2nc(-c3ccc(Cl)cc3)cc2n1
InChIInChI=1S/C20H23ClN4O/c1-14-12-20(24-10-3-2-4-17(24)9-11-26)25-19(22-14)13-18(23-25)15-5-7-16(21)8-6-15/h5-8,12-13,17,26H,2-4,9-11H2,1H3
InChIKeyTZWSGOPCLUTFBZ-UHFFFAOYSA-N
MW370.88 g/mol
LogP4.10
Rot. Bonds4

About 2-[1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-2-yl]ethanol

2-[1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-2-yl]ethanol (PubChem CID 3229907) has the molecular formula C20H23ClN4O and a molecular weight of 370.88 g/mol. Its IUPAC name is 2-[1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-2-yl]ethanol
PubChem CID3229907
Molecular FormulaC20H23ClN4O
Molecular Weight370.88 g/mol
Exact Mass370.16
IUPAC Name2-[1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-2-yl]ethanol
SMILESCc1cc(N2CCCCC2CCO)n2nc(-c3ccc(Cl)cc3)cc2n1
InChIInChI=1S/C20H23ClN4O/c1-14-12-20(24-10-3-2-4-17(24)9-11-26)25-19(22-14)13-18(23-25)15-5-7-16(21)8-6-15/h5-8,12-13,17,26H,2-4,9-11H2,1H3
InChIKeyTZWSGOPCLUTFBZ-UHFFFAOYSA-N
XLogP4.10
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-2-yl]ethanol (CID 3229907) is 2-[1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-2-yl]ethanol is Cc1cc(N2CCCCC2CCO)n2nc(-c3ccc(Cl)cc3)cc2n1.
What is the InChIKey of 2-[1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-2-yl]ethanol?
The InChIKey is TZWSGOPCLUTFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O/c1-14-12-20(24-10-3-2-4-17(24)9-11-26)25-19(22-14)13-18(23-25)15-5-7-16(21)8-6-15/h5-8,12-13,17,26H,2-4,9-11H2,1H3.
What are the key properties of 2-[1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-2-yl]ethanol?
2-[1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-2-yl]ethanol has a molecular weight of 370.88 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-2-yl]ethanol is sourced from PubChem (CID 3229907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).