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

C19H26N4O2 — CID 99639548

IUPAC(3R)-1-(2,5-dimethylpyrazol-3-yl)-3-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino]pyrrolidin-2-one
SMILESCc1cc(N2CC[C@@H](N[C@@H](C)CCc3ccc(O)cc3)C2=O)n(C)n1
InChIInChI=1S/C19H26N4O2/c1-13(4-5-15-6-8-16(24)9-7-15)20-17-10-11-23(19(17)25)18-12-14(2)21-22(18)3/h6-9,12-13,17,20,24H,4-5,10-11H2,1-3H3/t13-,17+/m0/s1
InChIKeyUSZJWKGMMDFARV-SUMWQHHRSA-N
MW342.44 g/mol
LogP2.15
Rot. Bonds6

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

(3R)-1-(2,5-dimethylpyrazol-3-yl)-3-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino]pyrrolidin-2-one (PubChem CID 99639548) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (3R)-1-(2,5-dimethylpyrazol-3-yl)-3-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-1-(2,5-dimethylpyrazol-3-yl)-3-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino]pyrrolidin-2-one
PubChem CID99639548
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(3R)-1-(2,5-dimethylpyrazol-3-yl)-3-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino]pyrrolidin-2-one
SMILESCc1cc(N2CC[C@@H](N[C@@H](C)CCc3ccc(O)cc3)C2=O)n(C)n1
InChIInChI=1S/C19H26N4O2/c1-13(4-5-15-6-8-16(24)9-7-15)20-17-10-11-23(19(17)25)18-12-14(2)21-22(18)3/h6-9,12-13,17,20,24H,4-5,10-11H2,1-3H3/t13-,17+/m0/s1
InChIKeyUSZJWKGMMDFARV-SUMWQHHRSA-N
XLogP2.15
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,5-dimethylpyrazol-3-yl)-3-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino]pyrrolidin-2-one?
The IUPAC name of (3R)-1-(2,5-dimethylpyrazol-3-yl)-3-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino]pyrrolidin-2-one (CID 99639548) is (3R)-1-(2,5-dimethylpyrazol-3-yl)-3-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino]pyrrolidin-2-one.
What is the SMILES notation for (3R)-1-(2,5-dimethylpyrazol-3-yl)-3-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino]pyrrolidin-2-one?
The canonical SMILES for (3R)-1-(2,5-dimethylpyrazol-3-yl)-3-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino]pyrrolidin-2-one is Cc1cc(N2CC[C@@H](N[C@@H](C)CCc3ccc(O)cc3)C2=O)n(C)n1.
What is the InChIKey of (3R)-1-(2,5-dimethylpyrazol-3-yl)-3-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino]pyrrolidin-2-one?
The InChIKey is USZJWKGMMDFARV-SUMWQHHRSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-13(4-5-15-6-8-16(24)9-7-15)20-17-10-11-23(19(17)25)18-12-14(2)21-22(18)3/h6-9,12-13,17,20,24H,4-5,10-11H2,1-3H3/t13-,17+/m0/s1.
What are the key properties of (3R)-1-(2,5-dimethylpyrazol-3-yl)-3-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino]pyrrolidin-2-one?
(3R)-1-(2,5-dimethylpyrazol-3-yl)-3-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino]pyrrolidin-2-one has a molecular weight of 342.44 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,5-dimethylpyrazol-3-yl)-3-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino]pyrrolidin-2-one is sourced from PubChem (CID 99639548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).