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

C14H20N6O — CID 99822908

IUPAC(3R)-1-(2,5-dimethylpyrazol-3-yl)-3-[(1-ethylpyrazol-4-yl)amino]pyrrolidin-2-one
SMILESCCn1cc(N[C@@H]2CCN(c3cc(C)nn3C)C2=O)cn1
InChIInChI=1S/C14H20N6O/c1-4-19-9-11(8-15-19)16-12-5-6-20(14(12)21)13-7-10(2)17-18(13)3/h7-9,12,16H,4-6H2,1-3H3/t12-/m1/s1
InChIKeyWRNRMWABWGBTGW-GFCCVEGCSA-N
MW288.36 g/mol
LogP1.16
Rot. Bonds4

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

(3R)-1-(2,5-dimethylpyrazol-3-yl)-3-[(1-ethylpyrazol-4-yl)amino]pyrrolidin-2-one (PubChem CID 99822908) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is (3R)-1-(2,5-dimethylpyrazol-3-yl)-3-[(1-ethylpyrazol-4-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-1-(2,5-dimethylpyrazol-3-yl)-3-[(1-ethylpyrazol-4-yl)amino]pyrrolidin-2-one
PubChem CID99822908
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name(3R)-1-(2,5-dimethylpyrazol-3-yl)-3-[(1-ethylpyrazol-4-yl)amino]pyrrolidin-2-one
SMILESCCn1cc(N[C@@H]2CCN(c3cc(C)nn3C)C2=O)cn1
InChIInChI=1S/C14H20N6O/c1-4-19-9-11(8-15-19)16-12-5-6-20(14(12)21)13-7-10(2)17-18(13)3/h7-9,12,16H,4-6H2,1-3H3/t12-/m1/s1
InChIKeyWRNRMWABWGBTGW-GFCCVEGCSA-N
XLogP1.16
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,5-dimethylpyrazol-3-yl)-3-[(1-ethylpyrazol-4-yl)amino]pyrrolidin-2-one?
The IUPAC name of (3R)-1-(2,5-dimethylpyrazol-3-yl)-3-[(1-ethylpyrazol-4-yl)amino]pyrrolidin-2-one (CID 99822908) is (3R)-1-(2,5-dimethylpyrazol-3-yl)-3-[(1-ethylpyrazol-4-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for (3R)-1-(2,5-dimethylpyrazol-3-yl)-3-[(1-ethylpyrazol-4-yl)amino]pyrrolidin-2-one?
The canonical SMILES for (3R)-1-(2,5-dimethylpyrazol-3-yl)-3-[(1-ethylpyrazol-4-yl)amino]pyrrolidin-2-one is CCn1cc(N[C@@H]2CCN(c3cc(C)nn3C)C2=O)cn1.
What is the InChIKey of (3R)-1-(2,5-dimethylpyrazol-3-yl)-3-[(1-ethylpyrazol-4-yl)amino]pyrrolidin-2-one?
The InChIKey is WRNRMWABWGBTGW-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N6O/c1-4-19-9-11(8-15-19)16-12-5-6-20(14(12)21)13-7-10(2)17-18(13)3/h7-9,12,16H,4-6H2,1-3H3/t12-/m1/s1.
What are the key properties of (3R)-1-(2,5-dimethylpyrazol-3-yl)-3-[(1-ethylpyrazol-4-yl)amino]pyrrolidin-2-one?
(3R)-1-(2,5-dimethylpyrazol-3-yl)-3-[(1-ethylpyrazol-4-yl)amino]pyrrolidin-2-one has a molecular weight of 288.36 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,5-dimethylpyrazol-3-yl)-3-[(1-ethylpyrazol-4-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 99822908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).