2-[cyclopropyl(ethyl)amino]-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]acetamide

C16H26N4O2 — CID 129006245

IUPAC2-[cyclopropyl(ethyl)amino]-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]acetamide
SMILESCCN(CC(=O)N[C@H]1CCO[C@@H]1c1cnn(CC)c1)C1CC1
InChIInChI=1S/C16H26N4O2/c1-3-19(13-5-6-13)11-15(21)18-14-7-8-22-16(14)12-9-17-20(4-2)10-12/h9-10,13-14,16H,3-8,11H2,1-2H3,(H,18,21)/t14-,16+/m0/s1
InChIKeyXMXVFHINFFYQCZ-GOEBONIOSA-N
MW306.41 g/mol
LogP1.33
Rot. Bonds7

About 2-[cyclopropyl(ethyl)amino]-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]acetamide

2-[cyclopropyl(ethyl)amino]-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]acetamide (PubChem CID 129006245) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-[cyclopropyl(ethyl)amino]-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-[cyclopropyl(ethyl)amino]-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]acetamide
PubChem CID129006245
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name2-[cyclopropyl(ethyl)amino]-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]acetamide
SMILESCCN(CC(=O)N[C@H]1CCO[C@@H]1c1cnn(CC)c1)C1CC1
InChIInChI=1S/C16H26N4O2/c1-3-19(13-5-6-13)11-15(21)18-14-7-8-22-16(14)12-9-17-20(4-2)10-12/h9-10,13-14,16H,3-8,11H2,1-2H3,(H,18,21)/t14-,16+/m0/s1
InChIKeyXMXVFHINFFYQCZ-GOEBONIOSA-N
XLogP1.33
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxamide
CID 128997299
(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]-6-oxaspiro[2.5]octane-2-carboxamide
CID 129336877
2-(diethylamino)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]acetamide
CID 128966088
(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxylic acid
CID 124681119
(2R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-1,4-dithiane-2-carboxamide
CID 129473013
4-ethyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]thiadiazole-5-carboxamide
CID 129001553
2-(1-ethylpyrazol-4-yl)oxolan-3-amine
CID 103848592
N-[4-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]amino]cyclohexyl]acetamide
CID 128981450
N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-2-fluoro-3-methylbenzamide
CID 129006150
2-[methyl(propan-2-yl)amino]-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]acetamide
CID 128992337
2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]ethanesulfonamide
CID 136581043

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(ethyl)amino]-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]acetamide?
The IUPAC name of 2-[cyclopropyl(ethyl)amino]-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]acetamide (CID 129006245) is 2-[cyclopropyl(ethyl)amino]-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]acetamide.
What is the SMILES notation for 2-[cyclopropyl(ethyl)amino]-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]acetamide?
The canonical SMILES for 2-[cyclopropyl(ethyl)amino]-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]acetamide is CCN(CC(=O)N[C@H]1CCO[C@@H]1c1cnn(CC)c1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(ethyl)amino]-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]acetamide?
The InChIKey is XMXVFHINFFYQCZ-GOEBONIOSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-3-19(13-5-6-13)11-15(21)18-14-7-8-22-16(14)12-9-17-20(4-2)10-12/h9-10,13-14,16H,3-8,11H2,1-2H3,(H,18,21)/t14-,16+/m0/s1.
What are the key properties of 2-[cyclopropyl(ethyl)amino]-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]acetamide?
2-[cyclopropyl(ethyl)amino]-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]acetamide has a molecular weight of 306.41 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(ethyl)amino]-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]acetamide is sourced from PubChem (CID 129006245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).