(3R)-1-(3,5-dimethoxyphenyl)-3-[(1-ethylpyrazol-4-yl)amino]pyrrolidin-2-one

C17H22N4O3 — CID 124618587

IUPAC(3R)-1-(3,5-dimethoxyphenyl)-3-[(1-ethylpyrazol-4-yl)amino]pyrrolidin-2-one
SMILESCCn1cc(N[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)cn1
InChIInChI=1S/C17H22N4O3/c1-4-20-11-12(10-18-20)19-16-5-6-21(17(16)22)13-7-14(23-2)9-15(8-13)24-3/h7-11,16,19H,4-6H2,1-3H3/t16-/m1/s1
InChIKeyNHRJFEXZUWNVCT-MRXNPFEDSA-N
MW330.39 g/mol
LogP2.14
Rot. Bonds6

About (3R)-1-(3,5-dimethoxyphenyl)-3-[(1-ethylpyrazol-4-yl)amino]pyrrolidin-2-one

(3R)-1-(3,5-dimethoxyphenyl)-3-[(1-ethylpyrazol-4-yl)amino]pyrrolidin-2-one (PubChem CID 124618587) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is (3R)-1-(3,5-dimethoxyphenyl)-3-[(1-ethylpyrazol-4-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-1-(3,5-dimethoxyphenyl)-3-[(1-ethylpyrazol-4-yl)amino]pyrrolidin-2-one
PubChem CID124618587
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name(3R)-1-(3,5-dimethoxyphenyl)-3-[(1-ethylpyrazol-4-yl)amino]pyrrolidin-2-one
SMILESCCn1cc(N[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)cn1
InChIInChI=1S/C17H22N4O3/c1-4-20-11-12(10-18-20)19-16-5-6-21(17(16)22)13-7-14(23-2)9-15(8-13)24-3/h7-11,16,19H,4-6H2,1-3H3/t16-/m1/s1
InChIKeyNHRJFEXZUWNVCT-MRXNPFEDSA-N
XLogP2.14
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3,5-dimethoxyphenyl)-3-[(1-ethylpyrazol-4-yl)amino]pyrrolidin-2-one?
The IUPAC name of (3R)-1-(3,5-dimethoxyphenyl)-3-[(1-ethylpyrazol-4-yl)amino]pyrrolidin-2-one (CID 124618587) is (3R)-1-(3,5-dimethoxyphenyl)-3-[(1-ethylpyrazol-4-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for (3R)-1-(3,5-dimethoxyphenyl)-3-[(1-ethylpyrazol-4-yl)amino]pyrrolidin-2-one?
The canonical SMILES for (3R)-1-(3,5-dimethoxyphenyl)-3-[(1-ethylpyrazol-4-yl)amino]pyrrolidin-2-one is CCn1cc(N[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)cn1.
What is the InChIKey of (3R)-1-(3,5-dimethoxyphenyl)-3-[(1-ethylpyrazol-4-yl)amino]pyrrolidin-2-one?
The InChIKey is NHRJFEXZUWNVCT-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-4-20-11-12(10-18-20)19-16-5-6-21(17(16)22)13-7-14(23-2)9-15(8-13)24-3/h7-11,16,19H,4-6H2,1-3H3/t16-/m1/s1.
What are the key properties of (3R)-1-(3,5-dimethoxyphenyl)-3-[(1-ethylpyrazol-4-yl)amino]pyrrolidin-2-one?
(3R)-1-(3,5-dimethoxyphenyl)-3-[(1-ethylpyrazol-4-yl)amino]pyrrolidin-2-one has a molecular weight of 330.39 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3,5-dimethoxyphenyl)-3-[(1-ethylpyrazol-4-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 124618587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).