(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]methanone

C12H19N3O3 — CID 97151992

IUPAC(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]methanone
SMILESCCn1nc(C(C)C)cc1C(=O)N1C[C@@H](O)CO1
InChIInChI=1S/C12H19N3O3/c1-4-14-11(5-10(13-14)8(2)3)12(17)15-6-9(16)7-18-15/h5,8-9,16H,4,6-7H2,1-3H3/t9-/m1/s1
InChIKeySDOHINZJRGHENC-SECBINFHSA-N
MW253.30 g/mol
LogP0.77
Rot. Bonds3

About (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]methanone

(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]methanone (PubChem CID 97151992) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]methanone.

Molecular Properties

Compound Name(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]methanone
PubChem CID97151992
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]methanone
SMILESCCn1nc(C(C)C)cc1C(=O)N1C[C@@H](O)CO1
InChIInChI=1S/C12H19N3O3/c1-4-14-11(5-10(13-14)8(2)3)12(17)15-6-9(16)7-18-15/h5,8-9,16H,4,6-7H2,1-3H3/t9-/m1/s1
InChIKeySDOHINZJRGHENC-SECBINFHSA-N
XLogP0.77
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3,4-dihydroxypyrrolidin-1-yl)-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 106671806
(2S,4S)-1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713321
1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63722049
1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102775084
(2R)-1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 78922034
[(4R)-4-aminoazepan-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 95721521
[(3R)-1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 125161347
1-ethyl-N-[(2-hydroxycyclohexyl)methyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 64928116
ethane;1-ethyl-N-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 176998703
ethyl 1-ethyl-3-propan-2-ylpyrazole-5-carboxylate
CID 112727118
1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 78086838
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 120750144

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]methanone?
The IUPAC name of (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]methanone (CID 97151992) is (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]methanone.
What is the SMILES notation for (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]methanone?
The canonical SMILES for (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]methanone is CCn1nc(C(C)C)cc1C(=O)N1C[C@@H](O)CO1.
What is the InChIKey of (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]methanone?
The InChIKey is SDOHINZJRGHENC-SECBINFHSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-4-14-11(5-10(13-14)8(2)3)12(17)15-6-9(16)7-18-15/h5,8-9,16H,4,6-7H2,1-3H3/t9-/m1/s1.
What are the key properties of (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]methanone?
(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]methanone has a molecular weight of 253.30 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]methanone is sourced from PubChem (CID 97151992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).