(3S)-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-propan-2-ylindol-2-one

C18H21N3O3 — CID 7281029

IUPAC(3S)-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-propan-2-ylindol-2-one
SMILESCc1n[nH]c(C)c1C(=O)C[C@@]1(O)C(=O)N(C(C)C)c2ccccc21
InChIInChI=1S/C18H21N3O3/c1-10(2)21-14-8-6-5-7-13(14)18(24,17(21)23)9-15(22)16-11(3)19-20-12(16)4/h5-8,10,24H,9H2,1-4H3,(H,19,20)/t18-/m0/s1
InChIKeyUCHNYUNZSUSKTI-SFHVURJKSA-N
MW327.38 g/mol
LogP2.24
Rot. Bonds4

About (3S)-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-propan-2-ylindol-2-one

(3S)-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-propan-2-ylindol-2-one (PubChem CID 7281029) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is (3S)-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-propan-2-ylindol-2-one.

Molecular Properties

Compound Name(3S)-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-propan-2-ylindol-2-one
PubChem CID7281029
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name(3S)-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-propan-2-ylindol-2-one
SMILESCc1n[nH]c(C)c1C(=O)C[C@@]1(O)C(=O)N(C(C)C)c2ccccc21
InChIInChI=1S/C18H21N3O3/c1-10(2)21-14-8-6-5-7-13(14)18(24,17(21)23)9-15(22)16-11(3)19-20-12(16)4/h5-8,10,24H,9H2,1-4H3,(H,19,20)/t18-/m0/s1
InChIKeyUCHNYUNZSUSKTI-SFHVURJKSA-N
XLogP2.24
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-1-ethyl-3-hydroxyindol-2-one
CID 957820
(3R)-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxy-1-propan-2-ylindol-2-one
CID 7281024
3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-propan-2-ylindol-2-one
CID 5182435
(3S)-3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1-propan-2-ylindol-2-one
CID 1075400
(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-propan-2-ylindol-2-one
CID 957833
(3S)-3-hydroxy-3-[2-(3-nitrophenyl)-2-oxoethyl]-1-propan-2-ylindol-2-one
CID 1265256
(3R)-5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-propylindol-2-one
CID 7281039
5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 2957423
(3R)-3-hydroxy-1-methyl-3-[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]indol-2-one
CID 957814
(3S)-3-hydroxy-1-(naphthalen-1-ylmethyl)-3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]indol-2-one
CID 41339036
(3R)-3-(5-amino-3-methyl-1,2-oxazol-4-yl)-3-hydroxy-1-propan-2-ylindol-2-one
CID 2396940
(3R)-1-[(4-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]indol-2-one
CID 41186953

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-propan-2-ylindol-2-one?
The IUPAC name of (3S)-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-propan-2-ylindol-2-one (CID 7281029) is (3S)-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-propan-2-ylindol-2-one.
What is the SMILES notation for (3S)-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-propan-2-ylindol-2-one?
The canonical SMILES for (3S)-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-propan-2-ylindol-2-one is Cc1n[nH]c(C)c1C(=O)C[C@@]1(O)C(=O)N(C(C)C)c2ccccc21.
What is the InChIKey of (3S)-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-propan-2-ylindol-2-one?
The InChIKey is UCHNYUNZSUSKTI-SFHVURJKSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-10(2)21-14-8-6-5-7-13(14)18(24,17(21)23)9-15(22)16-11(3)19-20-12(16)4/h5-8,10,24H,9H2,1-4H3,(H,19,20)/t18-/m0/s1.
What are the key properties of (3S)-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-propan-2-ylindol-2-one?
(3S)-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-propan-2-ylindol-2-one has a molecular weight of 327.38 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-propan-2-ylindol-2-one is sourced from PubChem (CID 7281029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).