(2R,3R)-2-(1-ethylpyrazol-4-yl)-N-[(1-ethylsulfanylcyclopropyl)methyl]oxane-3-carboxamide

C17H27N3O2S — CID 136584080

IUPAC(2R,3R)-2-(1-ethylpyrazol-4-yl)-N-[(1-ethylsulfanylcyclopropyl)methyl]oxane-3-carboxamide
SMILESCCSC1(CNC(=O)[C@@H]2CCCO[C@H]2c2cnn(CC)c2)CC1
InChIInChI=1S/C17H27N3O2S/c1-3-20-11-13(10-19-20)15-14(6-5-9-22-15)16(21)18-12-17(7-8-17)23-4-2/h10-11,14-15H,3-9,12H2,1-2H3,(H,18,21)/t14-,15+/m1/s1
InChIKeyMXGKERFALZHVBC-CABCVRRESA-N
MW337.49 g/mol
LogP2.77
Rot. Bonds7

About (2R,3R)-2-(1-ethylpyrazol-4-yl)-N-[(1-ethylsulfanylcyclopropyl)methyl]oxane-3-carboxamide

(2R,3R)-2-(1-ethylpyrazol-4-yl)-N-[(1-ethylsulfanylcyclopropyl)methyl]oxane-3-carboxamide (PubChem CID 136584080) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is (2R,3R)-2-(1-ethylpyrazol-4-yl)-N-[(1-ethylsulfanylcyclopropyl)methyl]oxane-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-2-(1-ethylpyrazol-4-yl)-N-[(1-ethylsulfanylcyclopropyl)methyl]oxane-3-carboxamide
PubChem CID136584080
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC Name(2R,3R)-2-(1-ethylpyrazol-4-yl)-N-[(1-ethylsulfanylcyclopropyl)methyl]oxane-3-carboxamide
SMILESCCSC1(CNC(=O)[C@@H]2CCCO[C@H]2c2cnn(CC)c2)CC1
InChIInChI=1S/C17H27N3O2S/c1-3-20-11-13(10-19-20)15-14(6-5-9-22-15)16(21)18-12-17(7-8-17)23-4-2/h10-11,14-15H,3-9,12H2,1-2H3,(H,18,21)/t14-,15+/m1/s1
InChIKeyMXGKERFALZHVBC-CABCVRRESA-N
XLogP2.77
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R,3R)-2-(1-ethylpyrazol-4-yl)-N-[(1-ethylsulfanylcyclopropyl)methyl]oxane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxylic acid
CID 124681119
[(2R,3R)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methanone
CID 128736435
(2S,3S)-2-(1-ethylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide
CID 129005643
(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)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-6-oxaspiro[2.5]octane-2-carboxamide
CID 129336877
[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]methanamine
CID 122164121
N-[4-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]amino]cyclohexyl]acetamide
CID 128981450
1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-(1,3-thiazol-4-ylmethyl)urea
CID 128970251
N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-2-fluoro-3-methylbenzamide
CID 129006150
(2S,3S)-2-(1-ethylpyrazol-4-yl)-N-(4-hydroxy-1-methoxybutan-2-yl)oxolane-3-carboxamide
CID 128995570
5-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]methylcarbamoyl]furan-2-carboxylic acid
CID 146135749

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(1-ethylpyrazol-4-yl)-N-[(1-ethylsulfanylcyclopropyl)methyl]oxane-3-carboxamide?
The IUPAC name of (2R,3R)-2-(1-ethylpyrazol-4-yl)-N-[(1-ethylsulfanylcyclopropyl)methyl]oxane-3-carboxamide (CID 136584080) is (2R,3R)-2-(1-ethylpyrazol-4-yl)-N-[(1-ethylsulfanylcyclopropyl)methyl]oxane-3-carboxamide.
What is the SMILES notation for (2R,3R)-2-(1-ethylpyrazol-4-yl)-N-[(1-ethylsulfanylcyclopropyl)methyl]oxane-3-carboxamide?
The canonical SMILES for (2R,3R)-2-(1-ethylpyrazol-4-yl)-N-[(1-ethylsulfanylcyclopropyl)methyl]oxane-3-carboxamide is CCSC1(CNC(=O)[C@@H]2CCCO[C@H]2c2cnn(CC)c2)CC1.
What is the InChIKey of (2R,3R)-2-(1-ethylpyrazol-4-yl)-N-[(1-ethylsulfanylcyclopropyl)methyl]oxane-3-carboxamide?
The InChIKey is MXGKERFALZHVBC-CABCVRRESA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-3-20-11-13(10-19-20)15-14(6-5-9-22-15)16(21)18-12-17(7-8-17)23-4-2/h10-11,14-15H,3-9,12H2,1-2H3,(H,18,21)/t14-,15+/m1/s1.
What are the key properties of (2R,3R)-2-(1-ethylpyrazol-4-yl)-N-[(1-ethylsulfanylcyclopropyl)methyl]oxane-3-carboxamide?
(2R,3R)-2-(1-ethylpyrazol-4-yl)-N-[(1-ethylsulfanylcyclopropyl)methyl]oxane-3-carboxamide has a molecular weight of 337.49 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(1-ethylpyrazol-4-yl)-N-[(1-ethylsulfanylcyclopropyl)methyl]oxane-3-carboxamide is sourced from PubChem (CID 136584080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).