1-[2-[2-[2-(dimethylamino)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-oxoethyl]pyrrolidin-2-one

C17H27N5O3 — CID 90652654

IUPAC1-[2-[2-[2-(dimethylamino)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESCN(C)CC(O)c1cc2n(n1)CCCN(C(=O)CN1CCCC1=O)C2
InChIInChI=1S/C17H27N5O3/c1-19(2)11-15(23)14-9-13-10-20(7-4-8-22(13)18-14)17(25)12-21-6-3-5-16(21)24/h9,15,23H,3-8,10-12H2,1-2H3
InChIKeyLXCWLWWAPRXARW-UHFFFAOYSA-N
MW349.44 g/mol
LogP-0.17
Rot. Bonds5

About 1-[2-[2-[2-(dimethylamino)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-oxoethyl]pyrrolidin-2-one

1-[2-[2-[2-(dimethylamino)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-oxoethyl]pyrrolidin-2-one (PubChem CID 90652654) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is 1-[2-[2-[2-(dimethylamino)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-oxoethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[2-[2-(dimethylamino)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-oxoethyl]pyrrolidin-2-one
PubChem CID90652654
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC Name1-[2-[2-[2-(dimethylamino)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESCN(C)CC(O)c1cc2n(n1)CCCN(C(=O)CN1CCCC1=O)C2
InChIInChI=1S/C17H27N5O3/c1-19(2)11-15(23)14-9-13-10-20(7-4-8-22(13)18-14)17(25)12-21-6-3-5-16(21)24/h9,15,23H,3-8,10-12H2,1-2H3
InChIKeyLXCWLWWAPRXARW-UHFFFAOYSA-N
XLogP-0.17
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-(dimethylamino)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-oxoethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[2-[2-(dimethylamino)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-oxoethyl]pyrrolidin-2-one (CID 90652654) is 1-[2-[2-[2-(dimethylamino)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-oxoethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[2-[2-(dimethylamino)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-oxoethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[2-[2-(dimethylamino)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-oxoethyl]pyrrolidin-2-one is CN(C)CC(O)c1cc2n(n1)CCCN(C(=O)CN1CCCC1=O)C2.
What is the InChIKey of 1-[2-[2-[2-(dimethylamino)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-oxoethyl]pyrrolidin-2-one?
The InChIKey is LXCWLWWAPRXARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-19(2)11-15(23)14-9-13-10-20(7-4-8-22(13)18-14)17(25)12-21-6-3-5-16(21)24/h9,15,23H,3-8,10-12H2,1-2H3.
What are the key properties of 1-[2-[2-[2-(dimethylamino)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-oxoethyl]pyrrolidin-2-one?
1-[2-[2-[2-(dimethylamino)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-oxoethyl]pyrrolidin-2-one has a molecular weight of 349.44 g/mol, XLogP of -0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-(dimethylamino)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-oxoethyl]pyrrolidin-2-one is sourced from PubChem (CID 90652654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).