ethyl 2-[3-methyl-5-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pyrazol-1-yl]acetate

C15H23N3O5 — CID 164631177

IUPACethyl 2-[3-methyl-5-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nc(C)cc1NC(=O)COC[C@H]1CCCO1
InChIInChI=1S/C15H23N3O5/c1-3-22-15(20)8-18-13(7-11(2)17-18)16-14(19)10-21-9-12-5-4-6-23-12/h7,12H,3-6,8-10H2,1-2H3,(H,16,19)/t12-/m1/s1
InChIKeyPCOXBSDDSVZJAL-GFCCVEGCSA-N
MW325.37 g/mol
LogP0.89
Rot. Bonds8

About ethyl 2-[3-methyl-5-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pyrazol-1-yl]acetate

ethyl 2-[3-methyl-5-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pyrazol-1-yl]acetate (PubChem CID 164631177) has the molecular formula C15H23N3O5 and a molecular weight of 325.37 g/mol. Its IUPAC name is ethyl 2-[3-methyl-5-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pyrazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-methyl-5-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pyrazol-1-yl]acetate
PubChem CID164631177
Molecular FormulaC15H23N3O5
Molecular Weight325.37 g/mol
Exact Mass325.16
IUPAC Nameethyl 2-[3-methyl-5-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nc(C)cc1NC(=O)COC[C@H]1CCCO1
InChIInChI=1S/C15H23N3O5/c1-3-22-15(20)8-18-13(7-11(2)17-18)16-14(19)10-21-9-12-5-4-6-23-12/h7,12H,3-6,8-10H2,1-2H3,(H,16,19)/t12-/m1/s1
InChIKeyPCOXBSDDSVZJAL-GFCCVEGCSA-N
XLogP0.89
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[3-methyl-5-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pyrazol-1-yl]acetate with MolForge

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Related Compounds

N-[1-(1-ethylpropyl)-3-methyl-1H-pyrazol-5-yl]tetrahydrofuran-2-carboxamide
CID 50967434
N-(1,3-dimethyl-1H-pyrazol-5-yl)oxolane-2-carboxamide
CID 45147551
N-(1-butan-2-yl-5-methylpyrazol-3-yl)-2-ethoxypropanamide
CID 132304540
Ethyl 2-[3-methyl-5-[(2,2,2-trifluoroacetyl)amino]pyrazol-1-yl]acetate
CID 178084687
Ethyl 2-[5-[(2,2-difluoroacetyl)amino]-3-methylpyrazol-1-yl]acetate
CID 126832537
2-[2-[(2,5-Dimethylpyrazol-3-yl)amino]-2-oxoethoxy]acetic acid
CID 2811788
2-(2-butoxyethoxy)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 57792185
N-(2,5-dimethylpyrazol-3-yl)-2-[2-(2-methoxyethoxy)ethoxy]acetamide
CID 57792237
Ethyl 2-[5-(ethylamino)-3-methylpyrazol-1-yl]acetate
CID 139576330
Ethyl 2-(5-acetamido-3-methylpyrazol-1-yl)acetate
CID 178084701
(2S)-N-(2,5-dimethylpyrazol-3-yl)oxolane-2-carboxamide
CID 35291348
(2R)-N-(2,5-dimethylpyrazol-3-yl)oxolane-2-carboxamide
CID 35291354

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-methyl-5-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pyrazol-1-yl]acetate?
The IUPAC name of ethyl 2-[3-methyl-5-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pyrazol-1-yl]acetate (CID 164631177) is ethyl 2-[3-methyl-5-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pyrazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-methyl-5-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pyrazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-methyl-5-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pyrazol-1-yl]acetate is CCOC(=O)Cn1nc(C)cc1NC(=O)COC[C@H]1CCCO1.
What is the InChIKey of ethyl 2-[3-methyl-5-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pyrazol-1-yl]acetate?
The InChIKey is PCOXBSDDSVZJAL-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23N3O5/c1-3-22-15(20)8-18-13(7-11(2)17-18)16-14(19)10-21-9-12-5-4-6-23-12/h7,12H,3-6,8-10H2,1-2H3,(H,16,19)/t12-/m1/s1.
What are the key properties of ethyl 2-[3-methyl-5-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pyrazol-1-yl]acetate?
ethyl 2-[3-methyl-5-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pyrazol-1-yl]acetate has a molecular weight of 325.37 g/mol, XLogP of 0.89, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-methyl-5-[[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]amino]pyrazol-1-yl]acetate is sourced from PubChem (CID 164631177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).