ethyl (1R)-2-[1-(1,3-oxazolidin-2-yl)pyrazol-4-yl]cyclopropane-1-carboxylate

C12H17N3O3 — CID 175524194

IUPACethyl (1R)-2-[1-(1,3-oxazolidin-2-yl)pyrazol-4-yl]cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@H]1CC1c1cnn(C2NCCO2)c1
InChIInChI=1S/C12H17N3O3/c1-2-17-11(16)10-5-9(10)8-6-14-15(7-8)12-13-3-4-18-12/h6-7,9-10,12-13H,2-5H2,1H3/t9?,10-,12?/m1/s1
InChIKeyKOUSLOGSPPPFLN-SQLBVSGCSA-N
MW251.29 g/mol
LogP0.63
Rot. Bonds4

About ethyl (1R)-2-[1-(1,3-oxazolidin-2-yl)pyrazol-4-yl]cyclopropane-1-carboxylate

ethyl (1R)-2-[1-(1,3-oxazolidin-2-yl)pyrazol-4-yl]cyclopropane-1-carboxylate (PubChem CID 175524194) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is ethyl (1R)-2-[1-(1,3-oxazolidin-2-yl)pyrazol-4-yl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl (1R)-2-[1-(1,3-oxazolidin-2-yl)pyrazol-4-yl]cyclopropane-1-carboxylate
PubChem CID175524194
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Nameethyl (1R)-2-[1-(1,3-oxazolidin-2-yl)pyrazol-4-yl]cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@H]1CC1c1cnn(C2NCCO2)c1
InChIInChI=1S/C12H17N3O3/c1-2-17-11(16)10-5-9(10)8-6-14-15(7-8)12-13-3-4-18-12/h6-7,9-10,12-13H,2-5H2,1H3/t9?,10-,12?/m1/s1
InChIKeyKOUSLOGSPPPFLN-SQLBVSGCSA-N
XLogP0.63
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

cis-ethyl (1R,2S)-2-(6-bromo-3-pyridinyl)cyclopropane-1-carboxylate
CID 124561675
2-[1-(oxan-2-yl)pyrazol-4-yl]cyclopropane-1-carboxamide
CID 174999751
ethyl 2-phenylcyclopropane-1-carboxylate;2-phenylcyclopropane-1-carboxylic acid
CID 70636165
trans-ethyl (1R,2R)-2-(5-methoxy-2-pyridinyl)cyclopropane-1-carboxylate
CID 177320992
ethyl (2R,3S)-2-methylmorpholine-3-carboxylate
CID 90001541
trans-ethyl (1R,2R)-2-[4-(1H-imidazol-5-yl)phenyl]cyclopropane-1-carboxylate
CID 124671256
trans-ethyl (1S,2S)-2-[4-(5-iodo-1-methyl-4,5-dihydroimidazol-4-yl)phenyl]cyclopropane-1-carboxylate
CID 130257037
cis-ethyl (1R,2S)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)cyclopropane-1-carboxylate
CID 129394247
ethyl 2-(2-methyl-1,3-oxazol-4-yl)cyclopropane-1-carboxylate
CID 89415647
ethyl 2-(2,3,4,5,6-pentafluorophenyl)cyclopropane-1-carboxylate
CID 87938295
trans-ethyl (1R,2R)-2-(5-hydroxy-2-pyridinyl)cyclopropane-1-carboxylate
CID 142405028
ethyl 2-(4-cyclohexylphenyl)cyclopropane-1-carboxylate
CID 70420444

Frequently Asked Questions

What is the IUPAC name of ethyl (1R)-2-[1-(1,3-oxazolidin-2-yl)pyrazol-4-yl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl (1R)-2-[1-(1,3-oxazolidin-2-yl)pyrazol-4-yl]cyclopropane-1-carboxylate (CID 175524194) is ethyl (1R)-2-[1-(1,3-oxazolidin-2-yl)pyrazol-4-yl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl (1R)-2-[1-(1,3-oxazolidin-2-yl)pyrazol-4-yl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl (1R)-2-[1-(1,3-oxazolidin-2-yl)pyrazol-4-yl]cyclopropane-1-carboxylate is CCOC(=O)[C@@H]1CC1c1cnn(C2NCCO2)c1.
What is the InChIKey of ethyl (1R)-2-[1-(1,3-oxazolidin-2-yl)pyrazol-4-yl]cyclopropane-1-carboxylate?
The InChIKey is KOUSLOGSPPPFLN-SQLBVSGCSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-2-17-11(16)10-5-9(10)8-6-14-15(7-8)12-13-3-4-18-12/h6-7,9-10,12-13H,2-5H2,1H3/t9?,10-,12?/m1/s1.
What are the key properties of ethyl (1R)-2-[1-(1,3-oxazolidin-2-yl)pyrazol-4-yl]cyclopropane-1-carboxylate?
ethyl (1R)-2-[1-(1,3-oxazolidin-2-yl)pyrazol-4-yl]cyclopropane-1-carboxylate has a molecular weight of 251.29 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1R)-2-[1-(1,3-oxazolidin-2-yl)pyrazol-4-yl]cyclopropane-1-carboxylate is sourced from PubChem (CID 175524194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).