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

C18H24N4O2 — CID 124577010

IUPAC(3R)-3-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
SMILESC[C@@H](CCc1ccc(O)cc1)N[C@@H]1CCN(c2cnn(C)c2)C1=O
InChIInChI=1S/C18H24N4O2/c1-13(3-4-14-5-7-16(23)8-6-14)20-17-9-10-22(18(17)24)15-11-19-21(2)12-15/h5-8,11-13,17,20,23H,3-4,9-10H2,1-2H3/t13-,17+/m0/s1
InChIKeyQXDJRCVIVSJOPW-SUMWQHHRSA-N
MW328.42 g/mol
LogP1.84
Rot. Bonds6

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

(3R)-3-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one (PubChem CID 124577010) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (3R)-3-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
PubChem CID124577010
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(3R)-3-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
SMILESC[C@@H](CCc1ccc(O)cc1)N[C@@H]1CCN(c2cnn(C)c2)C1=O
InChIInChI=1S/C18H24N4O2/c1-13(3-4-14-5-7-16(23)8-6-14)20-17-9-10-22(18(17)24)15-11-19-21(2)12-15/h5-8,11-13,17,20,23H,3-4,9-10H2,1-2H3/t13-,17+/m0/s1
InChIKeyQXDJRCVIVSJOPW-SUMWQHHRSA-N
XLogP1.84
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
The IUPAC name of (3R)-3-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one (CID 124577010) is (3R)-3-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one.
What is the SMILES notation for (3R)-3-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
The canonical SMILES for (3R)-3-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one is C[C@@H](CCc1ccc(O)cc1)N[C@@H]1CCN(c2cnn(C)c2)C1=O.
What is the InChIKey of (3R)-3-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
The InChIKey is QXDJRCVIVSJOPW-SUMWQHHRSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13(3-4-14-5-7-16(23)8-6-14)20-17-9-10-22(18(17)24)15-11-19-21(2)12-15/h5-8,11-13,17,20,23H,3-4,9-10H2,1-2H3/t13-,17+/m0/s1.
What are the key properties of (3R)-3-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
(3R)-3-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one has a molecular weight of 328.42 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 124577010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).