1-[2-[5-(pyrrolidine-1-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]pyrrolidin-2-one

C18H27N5O2 — CID 133143408

IUPAC1-[2-[5-(pyrrolidine-1-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCC1CN(C(=O)N2CCCC2)Cc2ccnn2C1
InChIInChI=1S/C18H27N5O2/c24-17-4-3-10-20(17)11-6-15-12-22(18(25)21-8-1-2-9-21)14-16-5-7-19-23(16)13-15/h5,7,15H,1-4,6,8-14H2
InChIKeyUVVSPJGWKWTHSG-UHFFFAOYSA-N
MW345.45 g/mol
LogP1.54
Rot. Bonds3

About 1-[2-[5-(pyrrolidine-1-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]pyrrolidin-2-one

1-[2-[5-(pyrrolidine-1-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]pyrrolidin-2-one (PubChem CID 133143408) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 1-[2-[5-(pyrrolidine-1-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[5-(pyrrolidine-1-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]pyrrolidin-2-one
PubChem CID133143408
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name1-[2-[5-(pyrrolidine-1-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCC1CN(C(=O)N2CCCC2)Cc2ccnn2C1
InChIInChI=1S/C18H27N5O2/c24-17-4-3-10-20(17)11-6-15-12-22(18(25)21-8-1-2-9-21)14-16-5-7-19-23(16)13-15/h5,7,15H,1-4,6,8-14H2
InChIKeyUVVSPJGWKWTHSG-UHFFFAOYSA-N
XLogP1.54
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(pyrrolidine-1-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[5-(pyrrolidine-1-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]pyrrolidin-2-one (CID 133143408) is 1-[2-[5-(pyrrolidine-1-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[5-(pyrrolidine-1-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[5-(pyrrolidine-1-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]pyrrolidin-2-one is O=C1CCCN1CCC1CN(C(=O)N2CCCC2)Cc2ccnn2C1.
What is the InChIKey of 1-[2-[5-(pyrrolidine-1-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]pyrrolidin-2-one?
The InChIKey is UVVSPJGWKWTHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c24-17-4-3-10-20(17)11-6-15-12-22(18(25)21-8-1-2-9-21)14-16-5-7-19-23(16)13-15/h5,7,15H,1-4,6,8-14H2.
What are the key properties of 1-[2-[5-(pyrrolidine-1-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]pyrrolidin-2-one?
1-[2-[5-(pyrrolidine-1-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]pyrrolidin-2-one has a molecular weight of 345.45 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-(pyrrolidine-1-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 133143408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).