methyl 2-[4-[[(2S)-oxolane-2-carbonyl]amino]pyrazol-1-yl]acetate

C11H15N3O4 — CID 93440590

IUPACmethyl 2-[4-[[(2S)-oxolane-2-carbonyl]amino]pyrazol-1-yl]acetate
SMILESCOC(=O)Cn1cc(NC(=O)[C@@H]2CCCO2)cn1
InChIInChI=1S/C11H15N3O4/c1-17-10(15)7-14-6-8(5-12-14)13-11(16)9-3-2-4-18-9/h5-6,9H,2-4,7H2,1H3,(H,13,16)/t9-/m0/s1
InChIKeyFWHGQJXNTKITMP-VIFPVBQESA-N
MW253.26 g/mol
LogP0.17
Rot. Bonds4

About methyl 2-[4-[[(2S)-oxolane-2-carbonyl]amino]pyrazol-1-yl]acetate

methyl 2-[4-[[(2S)-oxolane-2-carbonyl]amino]pyrazol-1-yl]acetate (PubChem CID 93440590) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is methyl 2-[4-[[(2S)-oxolane-2-carbonyl]amino]pyrazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[[(2S)-oxolane-2-carbonyl]amino]pyrazol-1-yl]acetate
PubChem CID93440590
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Namemethyl 2-[4-[[(2S)-oxolane-2-carbonyl]amino]pyrazol-1-yl]acetate
SMILESCOC(=O)Cn1cc(NC(=O)[C@@H]2CCCO2)cn1
InChIInChI=1S/C11H15N3O4/c1-17-10(15)7-14-6-8(5-12-14)13-11(16)9-3-2-4-18-9/h5-6,9H,2-4,7H2,1H3,(H,13,16)/t9-/m0/s1
InChIKeyFWHGQJXNTKITMP-VIFPVBQESA-N
XLogP0.17
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[4-(1,4-dioxane-2-carbonylamino)pyrazol-1-yl]acetate
CID 47291922
methyl 2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetate
CID 47291837
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]oxolane-2-carboxamide
CID 71993905
(2R)-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]oxolane-2-carboxamide
CID 35593011
(2S)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]oxolane-2-carboxamide
CID 35277538
N-(1-tert-butylpyrazol-4-yl)oxolane-2-carboxamide
CID 47463711
N-[1-[2-[methyl(2-phenoxyethyl)amino]-2-oxoethyl]pyrazol-4-yl]oxolane-2-carboxamide
CID 178043641
(2R)-N-(1-methylpyrazol-4-yl)oxetane-2-carboxamide
CID 175500710
N-[1-[2-[2-(2,4-dichlorophenoxy)ethyl-methylamino]-2-oxoethyl]pyrazol-4-yl]oxolane-2-carboxamide
CID 178043685
methyl 2-[4-[[2-(thian-4-yl)acetyl]amino]pyrazol-1-yl]acetate
CID 80709747
methyl 2-[4-(3-methylsulfanylpropanoylamino)pyrazol-1-yl]acetate
CID 54904175
2-[4-[[(2R,5R)-5-methyloxolane-2-carbonyl]amino]pyrazol-1-yl]acetic acid
CID 138002028

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[(2S)-oxolane-2-carbonyl]amino]pyrazol-1-yl]acetate?
The IUPAC name of methyl 2-[4-[[(2S)-oxolane-2-carbonyl]amino]pyrazol-1-yl]acetate (CID 93440590) is methyl 2-[4-[[(2S)-oxolane-2-carbonyl]amino]pyrazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-[[(2S)-oxolane-2-carbonyl]amino]pyrazol-1-yl]acetate?
The canonical SMILES for methyl 2-[4-[[(2S)-oxolane-2-carbonyl]amino]pyrazol-1-yl]acetate is COC(=O)Cn1cc(NC(=O)[C@@H]2CCCO2)cn1.
What is the InChIKey of methyl 2-[4-[[(2S)-oxolane-2-carbonyl]amino]pyrazol-1-yl]acetate?
The InChIKey is FWHGQJXNTKITMP-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15N3O4/c1-17-10(15)7-14-6-8(5-12-14)13-11(16)9-3-2-4-18-9/h5-6,9H,2-4,7H2,1H3,(H,13,16)/t9-/m0/s1.
What are the key properties of methyl 2-[4-[[(2S)-oxolane-2-carbonyl]amino]pyrazol-1-yl]acetate?
methyl 2-[4-[[(2S)-oxolane-2-carbonyl]amino]pyrazol-1-yl]acetate has a molecular weight of 253.26 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[(2S)-oxolane-2-carbonyl]amino]pyrazol-1-yl]acetate is sourced from PubChem (CID 93440590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).