[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[3-(3-hydroxypropyl)piperidin-1-yl]methanone

C20H31N5O2 — CID 56752036

IUPAC[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[3-(3-hydroxypropyl)piperidin-1-yl]methanone
SMILESCCN(CC)Cc1cnc2c(C(=O)N3CCCC(CCCO)C3)cnn2c1
InChIInChI=1S/C20H31N5O2/c1-3-23(4-2)13-17-11-21-19-18(12-22-25(19)15-17)20(27)24-9-5-7-16(14-24)8-6-10-26/h11-12,15-16,26H,3-10,13-14H2,1-2H3
InChIKeyNQUASHRXYSBYAG-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.20
Rot. Bonds8

About [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[3-(3-hydroxypropyl)piperidin-1-yl]methanone

[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[3-(3-hydroxypropyl)piperidin-1-yl]methanone (PubChem CID 56752036) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[3-(3-hydroxypropyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[3-(3-hydroxypropyl)piperidin-1-yl]methanone
PubChem CID56752036
Molecular FormulaC20H31N5O2
Molecular Weight373.50 g/mol
Exact Mass373.25
IUPAC Name[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[3-(3-hydroxypropyl)piperidin-1-yl]methanone
SMILESCCN(CC)Cc1cnc2c(C(=O)N3CCCC(CCCO)C3)cnn2c1
InChIInChI=1S/C20H31N5O2/c1-3-23(4-2)13-17-11-21-19-18(12-22-25(19)15-17)20(27)24-9-5-7-16(14-24)8-6-10-26/h11-12,15-16,26H,3-10,13-14H2,1-2H3
InChIKeyNQUASHRXYSBYAG-UHFFFAOYSA-N
XLogP2.20
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[3-(3-hydroxypropyl)piperidin-1-yl]methanone?
The IUPAC name of [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[3-(3-hydroxypropyl)piperidin-1-yl]methanone (CID 56752036) is [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[3-(3-hydroxypropyl)piperidin-1-yl]methanone.
What is the SMILES notation for [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[3-(3-hydroxypropyl)piperidin-1-yl]methanone?
The canonical SMILES for [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[3-(3-hydroxypropyl)piperidin-1-yl]methanone is CCN(CC)Cc1cnc2c(C(=O)N3CCCC(CCCO)C3)cnn2c1.
What is the InChIKey of [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[3-(3-hydroxypropyl)piperidin-1-yl]methanone?
The InChIKey is NQUASHRXYSBYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O2/c1-3-23(4-2)13-17-11-21-19-18(12-22-25(19)15-17)20(27)24-9-5-7-16(14-24)8-6-10-26/h11-12,15-16,26H,3-10,13-14H2,1-2H3.
What are the key properties of [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[3-(3-hydroxypropyl)piperidin-1-yl]methanone?
[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[3-(3-hydroxypropyl)piperidin-1-yl]methanone has a molecular weight of 373.50 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[3-(3-hydroxypropyl)piperidin-1-yl]methanone is sourced from PubChem (CID 56752036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).