1-[2-(dimethylamino)ethyl]-4-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)pyrrolidin-2-one

C17H27N5O2 — CID 72858560

IUPAC1-[2-(dimethylamino)ethyl]-4-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)pyrrolidin-2-one
SMILESCCc1n[nH]c2c1CN(C(=O)C1CC(=O)N(CCN(C)C)C1)CC2
InChIInChI=1S/C17H27N5O2/c1-4-14-13-11-22(6-5-15(13)19-18-14)17(24)12-9-16(23)21(10-12)8-7-20(2)3/h12H,4-11H2,1-3H3,(H,18,19)
InChIKeyIXRCSTALQPXOJR-UHFFFAOYSA-N
MW333.44 g/mol
LogP0.27
Rot. Bonds5

About 1-[2-(dimethylamino)ethyl]-4-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)pyrrolidin-2-one

1-[2-(dimethylamino)ethyl]-4-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)pyrrolidin-2-one (PubChem CID 72858560) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-4-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-4-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)pyrrolidin-2-one
PubChem CID72858560
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name1-[2-(dimethylamino)ethyl]-4-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)pyrrolidin-2-one
SMILESCCc1n[nH]c2c1CN(C(=O)C1CC(=O)N(CCN(C)C)C1)CC2
InChIInChI=1S/C17H27N5O2/c1-4-14-13-11-22(6-5-15(13)19-18-14)17(24)12-9-16(23)21(10-12)8-7-20(2)3/h12H,4-11H2,1-3H3,(H,18,19)
InChIKeyIXRCSTALQPXOJR-UHFFFAOYSA-N
XLogP0.27
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-4-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-4-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)pyrrolidin-2-one (CID 72858560) is 1-[2-(dimethylamino)ethyl]-4-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-4-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-4-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)pyrrolidin-2-one is CCc1n[nH]c2c1CN(C(=O)C1CC(=O)N(CCN(C)C)C1)CC2.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-4-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)pyrrolidin-2-one?
The InChIKey is IXRCSTALQPXOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-4-14-13-11-22(6-5-15(13)19-18-14)17(24)12-9-16(23)21(10-12)8-7-20(2)3/h12H,4-11H2,1-3H3,(H,18,19).
What are the key properties of 1-[2-(dimethylamino)ethyl]-4-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)pyrrolidin-2-one?
1-[2-(dimethylamino)ethyl]-4-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)pyrrolidin-2-one has a molecular weight of 333.44 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-4-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 72858560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).