(2S,3S)-2-(1-ethylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide

C15H19N3O2S — CID 129005643

IUPAC(2S,3S)-2-(1-ethylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide
SMILESCCn1cc([C@H]2OCC[C@@H]2C(=O)NCc2cccs2)cn1
InChIInChI=1S/C15H19N3O2S/c1-2-18-10-11(8-17-18)14-13(5-6-20-14)15(19)16-9-12-4-3-7-21-12/h3-4,7-8,10,13-14H,2,5-6,9H2,1H3,(H,16,19)/t13-,14+/m0/s1
InChIKeyUUPUTYXEXQFWSR-UONOGXRCSA-N
MW305.40 g/mol
LogP2.36
Rot. Bonds5

About (2S,3S)-2-(1-ethylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide

(2S,3S)-2-(1-ethylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide (PubChem CID 129005643) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is (2S,3S)-2-(1-ethylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-2-(1-ethylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide
PubChem CID129005643
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name(2S,3S)-2-(1-ethylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide
SMILESCCn1cc([C@H]2OCC[C@@H]2C(=O)NCc2cccs2)cn1
InChIInChI=1S/C15H19N3O2S/c1-2-18-10-11(8-17-18)14-13(5-6-20-14)15(19)16-9-12-4-3-7-21-12/h3-4,7-8,10,13-14H,2,5-6,9H2,1H3,(H,16,19)/t13-,14+/m0/s1
InChIKeyUUPUTYXEXQFWSR-UONOGXRCSA-N
XLogP2.36
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-2-(1-methylpyrazol-4-yl)-N-(2-thiophen-2-ylethyl)oxolane-3-carboxamide
CID 129003529
(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxylic acid
CID 124681119
(2S,3S)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxamide
CID 128997299
(2S,3S)-2-(1-ethylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)oxolane-3-carboxamide
CID 128996390
(2R,3R)-2-(1-ethylpyrazol-4-yl)-N-[(1-ethylsulfanylcyclopropyl)methyl]oxane-3-carboxamide
CID 136584080
(4R,4aR,8aR)-6-pyrimidin-2-yl-N-(thiophen-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
CID 97388710
(2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(6-methoxy-3-pyridinyl)methyl]oxolane-3-carboxamide
CID 128965082
2-(1-ethylpyrazol-4-yl)oxolan-3-amine
CID 103848592
(2S,5R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-5-methyloxolane-2-carboxamide
CID 129341858
(2R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-1,4-dithiane-2-carboxamide
CID 129473013
(2S,3S)-N-(2-ethoxyethyl)-2-(1-ethylpyrazol-4-yl)-N-methyloxolane-3-carboxamide
CID 129005878
1-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 97075466

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(1-ethylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-2-(1-ethylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide (CID 129005643) is (2S,3S)-2-(1-ethylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-2-(1-ethylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-2-(1-ethylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide is CCn1cc([C@H]2OCC[C@@H]2C(=O)NCc2cccs2)cn1.
What is the InChIKey of (2S,3S)-2-(1-ethylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide?
The InChIKey is UUPUTYXEXQFWSR-UONOGXRCSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-2-18-10-11(8-17-18)14-13(5-6-20-14)15(19)16-9-12-4-3-7-21-12/h3-4,7-8,10,13-14H,2,5-6,9H2,1H3,(H,16,19)/t13-,14+/m0/s1.
What are the key properties of (2S,3S)-2-(1-ethylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide?
(2S,3S)-2-(1-ethylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(1-ethylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide is sourced from PubChem (CID 129005643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).