(2S,3S)-2-(1-methylpyrazol-4-yl)-N-(2-thiophen-2-ylethyl)oxolane-3-carboxamide

C15H19N3O2S — CID 129003529

IUPAC(2S,3S)-2-(1-methylpyrazol-4-yl)-N-(2-thiophen-2-ylethyl)oxolane-3-carboxamide
SMILESCn1cc([C@H]2OCC[C@@H]2C(=O)NCCc2cccs2)cn1
InChIInChI=1S/C15H19N3O2S/c1-18-10-11(9-17-18)14-13(5-7-20-14)15(19)16-6-4-12-3-2-8-21-12/h2-3,8-10,13-14H,4-7H2,1H3,(H,16,19)/t13-,14+/m0/s1
InChIKeyQZGLSBQIFMJKRJ-UONOGXRCSA-N
MW305.40 g/mol
LogP1.92
Rot. Bonds5

About (2S,3S)-2-(1-methylpyrazol-4-yl)-N-(2-thiophen-2-ylethyl)oxolane-3-carboxamide

(2S,3S)-2-(1-methylpyrazol-4-yl)-N-(2-thiophen-2-ylethyl)oxolane-3-carboxamide (PubChem CID 129003529) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is (2S,3S)-2-(1-methylpyrazol-4-yl)-N-(2-thiophen-2-ylethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-2-(1-methylpyrazol-4-yl)-N-(2-thiophen-2-ylethyl)oxolane-3-carboxamide
PubChem CID129003529
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name(2S,3S)-2-(1-methylpyrazol-4-yl)-N-(2-thiophen-2-ylethyl)oxolane-3-carboxamide
SMILESCn1cc([C@H]2OCC[C@@H]2C(=O)NCCc2cccs2)cn1
InChIInChI=1S/C15H19N3O2S/c1-18-10-11(9-17-18)14-13(5-7-20-14)15(19)16-6-4-12-3-2-8-21-12/h2-3,8-10,13-14H,4-7H2,1H3,(H,16,19)/t13-,14+/m0/s1
InChIKeyQZGLSBQIFMJKRJ-UONOGXRCSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-2-(1-ethylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide
CID 129005643
(2S,3S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide
CID 129005917
1-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 97075466
1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 97075465
(2S,3S)-2-(1-methylpyrazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)oxolane-3-carboxamide
CID 128992514
1,3-dihydroisoindol-2-yl-[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanone
CID 128994244
(2R,3R)-2-(1-propan-2-ylpyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)oxolane-3-carboxamide
CID 166324188
2-amino-N-(2-thiophen-2-ylethyl)cyclopentane-1-carboxamide
CID 64816964
N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]thiophene-2-sulfonamide
CID 128992375
(2S,3S)-2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(2-pyridin-3-ylethyl)oxolane-3-carboxamide
CID 128966459
N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]thiophene-2-carboxamide
CID 128997659
3-methyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 114278796

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(1-methylpyrazol-4-yl)-N-(2-thiophen-2-ylethyl)oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-2-(1-methylpyrazol-4-yl)-N-(2-thiophen-2-ylethyl)oxolane-3-carboxamide (CID 129003529) is (2S,3S)-2-(1-methylpyrazol-4-yl)-N-(2-thiophen-2-ylethyl)oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-2-(1-methylpyrazol-4-yl)-N-(2-thiophen-2-ylethyl)oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-2-(1-methylpyrazol-4-yl)-N-(2-thiophen-2-ylethyl)oxolane-3-carboxamide is Cn1cc([C@H]2OCC[C@@H]2C(=O)NCCc2cccs2)cn1.
What is the InChIKey of (2S,3S)-2-(1-methylpyrazol-4-yl)-N-(2-thiophen-2-ylethyl)oxolane-3-carboxamide?
The InChIKey is QZGLSBQIFMJKRJ-UONOGXRCSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-18-10-11(9-17-18)14-13(5-7-20-14)15(19)16-6-4-12-3-2-8-21-12/h2-3,8-10,13-14H,4-7H2,1H3,(H,16,19)/t13-,14+/m0/s1.
What are the key properties of (2S,3S)-2-(1-methylpyrazol-4-yl)-N-(2-thiophen-2-ylethyl)oxolane-3-carboxamide?
(2S,3S)-2-(1-methylpyrazol-4-yl)-N-(2-thiophen-2-ylethyl)oxolane-3-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 1.92, 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-methylpyrazol-4-yl)-N-(2-thiophen-2-ylethyl)oxolane-3-carboxamide is sourced from PubChem (CID 129003529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).