1-[2-[(2R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-3-(1-methyl-3-propan-2-ylpyrazol-5-yl)urea

C18H32N6O2 — CID 97444291

IUPAC1-[2-[(2R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-3-(1-methyl-3-propan-2-ylpyrazol-5-yl)urea
SMILESCC(C)c1cc(NC(=O)NCC[C@H]2CCC(=O)N2CCN(C)C)n(C)n1
InChIInChI=1S/C18H32N6O2/c1-13(2)15-12-16(23(5)21-15)20-18(26)19-9-8-14-6-7-17(25)24(14)11-10-22(3)4/h12-14H,6-11H2,1-5H3,(H2,19,20,26)/t14-/m1/s1
InChIKeyJASBWVSFWHLFSJ-CQSZACIVSA-N
MW364.49 g/mol
LogP1.61
Rot. Bonds8

About 1-[2-[(2R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-3-(1-methyl-3-propan-2-ylpyrazol-5-yl)urea

1-[2-[(2R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-3-(1-methyl-3-propan-2-ylpyrazol-5-yl)urea (PubChem CID 97444291) has the molecular formula C18H32N6O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-[2-[(2R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-3-(1-methyl-3-propan-2-ylpyrazol-5-yl)urea.

Molecular Properties

Compound Name1-[2-[(2R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-3-(1-methyl-3-propan-2-ylpyrazol-5-yl)urea
PubChem CID97444291
Molecular FormulaC18H32N6O2
Molecular Weight364.49 g/mol
Exact Mass364.26
IUPAC Name1-[2-[(2R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-3-(1-methyl-3-propan-2-ylpyrazol-5-yl)urea
SMILESCC(C)c1cc(NC(=O)NCC[C@H]2CCC(=O)N2CCN(C)C)n(C)n1
InChIInChI=1S/C18H32N6O2/c1-13(2)15-12-16(23(5)21-15)20-18(26)19-9-8-14-6-7-17(25)24(14)11-10-22(3)4/h12-14H,6-11H2,1-5H3,(H2,19,20,26)/t14-/m1/s1
InChIKeyJASBWVSFWHLFSJ-CQSZACIVSA-N
XLogP1.61
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-3-(1-methyl-3-propan-2-ylpyrazol-5-yl)urea?
The IUPAC name of 1-[2-[(2R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-3-(1-methyl-3-propan-2-ylpyrazol-5-yl)urea (CID 97444291) is 1-[2-[(2R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-3-(1-methyl-3-propan-2-ylpyrazol-5-yl)urea.
What is the SMILES notation for 1-[2-[(2R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-3-(1-methyl-3-propan-2-ylpyrazol-5-yl)urea?
The canonical SMILES for 1-[2-[(2R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-3-(1-methyl-3-propan-2-ylpyrazol-5-yl)urea is CC(C)c1cc(NC(=O)NCC[C@H]2CCC(=O)N2CCN(C)C)n(C)n1.
What is the InChIKey of 1-[2-[(2R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-3-(1-methyl-3-propan-2-ylpyrazol-5-yl)urea?
The InChIKey is JASBWVSFWHLFSJ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H32N6O2/c1-13(2)15-12-16(23(5)21-15)20-18(26)19-9-8-14-6-7-17(25)24(14)11-10-22(3)4/h12-14H,6-11H2,1-5H3,(H2,19,20,26)/t14-/m1/s1.
What are the key properties of 1-[2-[(2R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-3-(1-methyl-3-propan-2-ylpyrazol-5-yl)urea?
1-[2-[(2R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-3-(1-methyl-3-propan-2-ylpyrazol-5-yl)urea has a molecular weight of 364.49 g/mol, XLogP of 1.61, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidin-2-yl]ethyl]-3-(1-methyl-3-propan-2-ylpyrazol-5-yl)urea is sourced from PubChem (CID 97444291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).