(3S)-3-[[1-(2-methoxyethyl)pyrazol-3-yl]amino]-1-methylpyrrolidin-2-one

C11H18N4O2 — CID 97061877

IUPAC(3S)-3-[[1-(2-methoxyethyl)pyrazol-3-yl]amino]-1-methylpyrrolidin-2-one
SMILESCOCCn1ccc(N[C@H]2CCN(C)C2=O)n1
InChIInChI=1S/C11H18N4O2/c1-14-5-3-9(11(14)16)12-10-4-6-15(13-10)7-8-17-2/h4,6,9H,3,5,7-8H2,1-2H3,(H,12,13)/t9-/m0/s1
InChIKeyVHVQQYSHGGXALN-VIFPVBQESA-N
MW238.29 g/mol
LogP0.17
Rot. Bonds5

About (3S)-3-[[1-(2-methoxyethyl)pyrazol-3-yl]amino]-1-methylpyrrolidin-2-one

(3S)-3-[[1-(2-methoxyethyl)pyrazol-3-yl]amino]-1-methylpyrrolidin-2-one (PubChem CID 97061877) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is (3S)-3-[[1-(2-methoxyethyl)pyrazol-3-yl]amino]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-[[1-(2-methoxyethyl)pyrazol-3-yl]amino]-1-methylpyrrolidin-2-one
PubChem CID97061877
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name(3S)-3-[[1-(2-methoxyethyl)pyrazol-3-yl]amino]-1-methylpyrrolidin-2-one
SMILESCOCCn1ccc(N[C@H]2CCN(C)C2=O)n1
InChIInChI=1S/C11H18N4O2/c1-14-5-3-9(11(14)16)12-10-4-6-15(13-10)7-8-17-2/h4,6,9H,3,5,7-8H2,1-2H3,(H,12,13)/t9-/m0/s1
InChIKeyVHVQQYSHGGXALN-VIFPVBQESA-N
XLogP0.17
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[1-(2-methoxyethyl)pyrazol-3-yl]amino]-1-methylpyrrolidin-2-one?
The IUPAC name of (3S)-3-[[1-(2-methoxyethyl)pyrazol-3-yl]amino]-1-methylpyrrolidin-2-one (CID 97061877) is (3S)-3-[[1-(2-methoxyethyl)pyrazol-3-yl]amino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for (3S)-3-[[1-(2-methoxyethyl)pyrazol-3-yl]amino]-1-methylpyrrolidin-2-one?
The canonical SMILES for (3S)-3-[[1-(2-methoxyethyl)pyrazol-3-yl]amino]-1-methylpyrrolidin-2-one is COCCn1ccc(N[C@H]2CCN(C)C2=O)n1.
What is the InChIKey of (3S)-3-[[1-(2-methoxyethyl)pyrazol-3-yl]amino]-1-methylpyrrolidin-2-one?
The InChIKey is VHVQQYSHGGXALN-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18N4O2/c1-14-5-3-9(11(14)16)12-10-4-6-15(13-10)7-8-17-2/h4,6,9H,3,5,7-8H2,1-2H3,(H,12,13)/t9-/m0/s1.
What are the key properties of (3S)-3-[[1-(2-methoxyethyl)pyrazol-3-yl]amino]-1-methylpyrrolidin-2-one?
(3S)-3-[[1-(2-methoxyethyl)pyrazol-3-yl]amino]-1-methylpyrrolidin-2-one has a molecular weight of 238.29 g/mol, XLogP of 0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[1-(2-methoxyethyl)pyrazol-3-yl]amino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 97061877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).