(3R)-1-[2-(dimethylamino)ethyl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

C16H27N5O2 — CID 97186593

IUPAC(3R)-1-[2-(dimethylamino)ethyl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)CCN1C[C@H](C(=O)N(C)CCc2cnn(C)c2)CC1=O
InChIInChI=1S/C16H27N5O2/c1-18(2)7-8-21-12-14(9-15(21)22)16(23)19(3)6-5-13-10-17-20(4)11-13/h10-11,14H,5-9,12H2,1-4H3/t14-/m1/s1
InChIKeyWNSJQGDCXIVYOS-CQSZACIVSA-N
MW321.43 g/mol
LogP-0.17
Rot. Bonds7

About (3R)-1-[2-(dimethylamino)ethyl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-[2-(dimethylamino)ethyl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 97186593) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is (3R)-1-[2-(dimethylamino)ethyl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-(dimethylamino)ethyl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID97186593
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC Name(3R)-1-[2-(dimethylamino)ethyl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)CCN1C[C@H](C(=O)N(C)CCc2cnn(C)c2)CC1=O
InChIInChI=1S/C16H27N5O2/c1-18(2)7-8-21-12-14(9-15(21)22)16(23)19(3)6-5-13-10-17-20(4)11-13/h10-11,14H,5-9,12H2,1-4H3/t14-/m1/s1
InChIKeyWNSJQGDCXIVYOS-CQSZACIVSA-N
XLogP-0.17
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(dimethylamino)ethyl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-(dimethylamino)ethyl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 97186593) is (3R)-1-[2-(dimethylamino)ethyl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-(dimethylamino)ethyl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-(dimethylamino)ethyl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is CN(C)CCN1C[C@H](C(=O)N(C)CCc2cnn(C)c2)CC1=O.
What is the InChIKey of (3R)-1-[2-(dimethylamino)ethyl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WNSJQGDCXIVYOS-CQSZACIVSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-18(2)7-8-21-12-14(9-15(21)22)16(23)19(3)6-5-13-10-17-20(4)11-13/h10-11,14H,5-9,12H2,1-4H3/t14-/m1/s1.
What are the key properties of (3R)-1-[2-(dimethylamino)ethyl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-[2-(dimethylamino)ethyl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 321.43 g/mol, XLogP of -0.17, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(dimethylamino)ethyl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 97186593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).