(2R,3R)-2-(2-methylpyrazol-3-yl)-N-(thiolan-2-ylmethyl)oxolane-3-carboxamide

C14H21N3O2S — CID 129000954

IUPAC(2R,3R)-2-(2-methylpyrazol-3-yl)-N-(thiolan-2-ylmethyl)oxolane-3-carboxamide
SMILESCn1nccc1[C@@H]1OCC[C@H]1C(=O)NCC1CCCS1
InChIInChI=1S/C14H21N3O2S/c1-17-12(4-6-16-17)13-11(5-7-19-13)14(18)15-9-10-3-2-8-20-10/h4,6,10-11,13H,2-3,5,7-9H2,1H3,(H,15,18)/t10?,11-,13-/m1/s1
InChIKeyUIUULEAZIJDBPF-LIXJUXSLSA-N
MW295.41 g/mol
LogP1.51
Rot. Bonds4

About (2R,3R)-2-(2-methylpyrazol-3-yl)-N-(thiolan-2-ylmethyl)oxolane-3-carboxamide

(2R,3R)-2-(2-methylpyrazol-3-yl)-N-(thiolan-2-ylmethyl)oxolane-3-carboxamide (PubChem CID 129000954) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is (2R,3R)-2-(2-methylpyrazol-3-yl)-N-(thiolan-2-ylmethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-2-(2-methylpyrazol-3-yl)-N-(thiolan-2-ylmethyl)oxolane-3-carboxamide
PubChem CID129000954
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name(2R,3R)-2-(2-methylpyrazol-3-yl)-N-(thiolan-2-ylmethyl)oxolane-3-carboxamide
SMILESCn1nccc1[C@@H]1OCC[C@H]1C(=O)NCC1CCCS1
InChIInChI=1S/C14H21N3O2S/c1-17-12(4-6-16-17)13-11(5-7-19-13)14(18)15-9-10-3-2-8-20-10/h4,6,10-11,13H,2-3,5,7-9H2,1H3,(H,15,18)/t10?,11-,13-/m1/s1
InChIKeyUIUULEAZIJDBPF-LIXJUXSLSA-N
XLogP1.51
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R)-2-(2-methylpyrazol-3-yl)-N-[[(2R)-2-methylthiolan-2-yl]methyl]oxolane-3-carboxamide
CID 129335251
(2R,3R)-2-(2-methylpyrazol-3-yl)-N-[(5-methyl-3-pyridinyl)methyl]oxolane-3-carboxamide
CID 128966406
(2R,3R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(2-methylpyrazol-3-yl)oxolane-3-carboxamide
CID 129000051
(2R,3R)-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-(2-methylpyrazol-3-yl)oxolane-3-carboxamide
CID 128973125
(2R,3R)-N-(2-ethylpyrimidin-5-yl)-2-(2-methylpyrazol-3-yl)oxolane-3-carboxamide
CID 129001573
(2R,3R)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide
CID 128975623
1-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-3-(thiolan-2-ylmethyl)urea
CID 128988869
(2R,3R)-N-(1-methylpyrazol-4-yl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide
CID 154738421
(2R,3R)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide
CID 128984992
2,2-dicyclopropyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]acetamide
CID 127969351
(2R,3R)-N-(2-ethylpyrimidin-5-yl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide
CID 128985765
1-(2-chlorothiophen-3-yl)-3-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]urea
CID 129475840

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(2-methylpyrazol-3-yl)-N-(thiolan-2-ylmethyl)oxolane-3-carboxamide?
The IUPAC name of (2R,3R)-2-(2-methylpyrazol-3-yl)-N-(thiolan-2-ylmethyl)oxolane-3-carboxamide (CID 129000954) is (2R,3R)-2-(2-methylpyrazol-3-yl)-N-(thiolan-2-ylmethyl)oxolane-3-carboxamide.
What is the SMILES notation for (2R,3R)-2-(2-methylpyrazol-3-yl)-N-(thiolan-2-ylmethyl)oxolane-3-carboxamide?
The canonical SMILES for (2R,3R)-2-(2-methylpyrazol-3-yl)-N-(thiolan-2-ylmethyl)oxolane-3-carboxamide is Cn1nccc1[C@@H]1OCC[C@H]1C(=O)NCC1CCCS1.
What is the InChIKey of (2R,3R)-2-(2-methylpyrazol-3-yl)-N-(thiolan-2-ylmethyl)oxolane-3-carboxamide?
The InChIKey is UIUULEAZIJDBPF-LIXJUXSLSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-17-12(4-6-16-17)13-11(5-7-19-13)14(18)15-9-10-3-2-8-20-10/h4,6,10-11,13H,2-3,5,7-9H2,1H3,(H,15,18)/t10?,11-,13-/m1/s1.
What are the key properties of (2R,3R)-2-(2-methylpyrazol-3-yl)-N-(thiolan-2-ylmethyl)oxolane-3-carboxamide?
(2R,3R)-2-(2-methylpyrazol-3-yl)-N-(thiolan-2-ylmethyl)oxolane-3-carboxamide has a molecular weight of 295.41 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(2-methylpyrazol-3-yl)-N-(thiolan-2-ylmethyl)oxolane-3-carboxamide is sourced from PubChem (CID 129000954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).