1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-(2H-indazol-3-yl)ethanone

C15H19N3O3 — CID 133265851

IUPAC1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-(2H-indazol-3-yl)ethanone
SMILESCCO[C@@H]1CN(C(=O)Cc2[nH]nc3ccccc23)C[C@H]1O
InChIInChI=1S/C15H19N3O3/c1-2-21-14-9-18(8-13(14)19)15(20)7-12-10-5-3-4-6-11(10)16-17-12/h3-6,13-14,19H,2,7-9H2,1H3,(H,16,17)/t13-,14-/m1/s1
InChIKeyYTCIRBJRLVXGJK-ZIAGYGMSSA-N
MW289.33 g/mol
LogP0.71
Rot. Bonds4

About 1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-(2H-indazol-3-yl)ethanone

1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-(2H-indazol-3-yl)ethanone (PubChem CID 133265851) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-(2H-indazol-3-yl)ethanone.

Molecular Properties

Compound Name1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-(2H-indazol-3-yl)ethanone
PubChem CID133265851
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-(2H-indazol-3-yl)ethanone
SMILESCCO[C@@H]1CN(C(=O)Cc2[nH]nc3ccccc23)C[C@H]1O
InChIInChI=1S/C15H19N3O3/c1-2-21-14-9-18(8-13(14)19)15(20)7-12-10-5-3-4-6-11(10)16-17-12/h3-6,13-14,19H,2,7-9H2,1H3,(H,16,17)/t13-,14-/m1/s1
InChIKeyYTCIRBJRLVXGJK-ZIAGYGMSSA-N
XLogP0.71
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-2-(2H-indazol-3-yl)ethanone
CID 135112508
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(2H-indazol-3-yl)ethanone
CID 119646692
1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
CID 133267056
1-(4-aminopiperidin-1-yl)-2-(2H-indazol-3-yl)ethanone
CID 119375250
2-(2H-indazol-3-yl)-1-piperazin-1-ylethanone;hydrochloride
CID 119402326
1-[2-(2H-indazol-3-yl)acetyl]piperidine-4-carboxylic acid
CID 119166712
ethyl 2-(2H-indazol-3-yl)acetate;2-(2H-indazol-3-yl)acetic acid
CID 158451727
ethyl 4-(2H-indazol-3-yl)-3-oxobutanoate
CID 147446393
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2H-indazol-3-yl)ethanone;hydrochloride
CID 119623896
2-[2-(2H-indazol-3-yl)acetyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 50979999
1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-pyridin-3-yloxyethanone
CID 133264687
1-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-2-(2H-indazol-3-yl)ethanone
CID 135102219

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-(2H-indazol-3-yl)ethanone?
The IUPAC name of 1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-(2H-indazol-3-yl)ethanone (CID 133265851) is 1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-(2H-indazol-3-yl)ethanone.
What is the SMILES notation for 1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-(2H-indazol-3-yl)ethanone?
The canonical SMILES for 1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-(2H-indazol-3-yl)ethanone is CCO[C@@H]1CN(C(=O)Cc2[nH]nc3ccccc23)C[C@H]1O.
What is the InChIKey of 1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-(2H-indazol-3-yl)ethanone?
The InChIKey is YTCIRBJRLVXGJK-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-2-21-14-9-18(8-13(14)19)15(20)7-12-10-5-3-4-6-11(10)16-17-12/h3-6,13-14,19H,2,7-9H2,1H3,(H,16,17)/t13-,14-/m1/s1.
What are the key properties of 1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-(2H-indazol-3-yl)ethanone?
1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-(2H-indazol-3-yl)ethanone has a molecular weight of 289.33 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-(2H-indazol-3-yl)ethanone is sourced from PubChem (CID 133265851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).