2,2-dicyclopropyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]acetamide

C17H25N3O2 — CID 127969351

IUPAC2,2-dicyclopropyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]acetamide
SMILESCn1nccc1[C@@H]1OCC[C@H]1CNC(=O)C(C1CC1)C1CC1
InChIInChI=1S/C17H25N3O2/c1-20-14(6-8-19-20)16-13(7-9-22-16)10-18-17(21)15(11-2-3-11)12-4-5-12/h6,8,11-13,15-16H,2-5,7,9-10H2,1H3,(H,18,21)/t13-,16+/m0/s1
InChIKeyLXOQLHHLDCFYTO-XJKSGUPXSA-N
MW303.41 g/mol
LogP2.05
Rot. Bonds6

About 2,2-dicyclopropyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]acetamide

2,2-dicyclopropyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]acetamide (PubChem CID 127969351) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2,2-dicyclopropyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2,2-dicyclopropyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]acetamide
PubChem CID127969351
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2,2-dicyclopropyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]acetamide
SMILESCn1nccc1[C@@H]1OCC[C@H]1CNC(=O)C(C1CC1)C1CC1
InChIInChI=1S/C17H25N3O2/c1-20-14(6-8-19-20)16-13(7-9-22-16)10-18-17(21)15(11-2-3-11)12-4-5-12/h6,8,11-13,15-16H,2-5,7,9-10H2,1H3,(H,18,21)/t13-,16+/m0/s1
InChIKeyLXOQLHHLDCFYTO-XJKSGUPXSA-N
XLogP2.05
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2-dicyclopropyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]acetamide with MolForge

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Related Compounds

1,2-dimethyl-3-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]guanidine
CID 120965775
1-(2-chlorothiophen-3-yl)-3-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]urea
CID 129475840
[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanol
CID 130949666
1-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 127965178
N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]ethenesulfonamide
CID 167933645
N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]-2-pyrrolidin-1-ylethanesulfonamide
CID 100641729
1-(azepan-1-yl)-3-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methylamino]butan-1-one
CID 128972283
(2R,6S)-2,6-dimethyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]oxan-4-amine
CID 129339482
5-bromo-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]pyrimidin-2-amine
CID 128992017
N-[(2-methoxyphenyl)methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine
CID 126826944
1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 128976235
1-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]urea
CID 126825556

Frequently Asked Questions

What is the IUPAC name of 2,2-dicyclopropyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]acetamide?
The IUPAC name of 2,2-dicyclopropyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]acetamide (CID 127969351) is 2,2-dicyclopropyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]acetamide.
What is the SMILES notation for 2,2-dicyclopropyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]acetamide?
The canonical SMILES for 2,2-dicyclopropyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]acetamide is Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)C(C1CC1)C1CC1.
What is the InChIKey of 2,2-dicyclopropyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]acetamide?
The InChIKey is LXOQLHHLDCFYTO-XJKSGUPXSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-20-14(6-8-19-20)16-13(7-9-22-16)10-18-17(21)15(11-2-3-11)12-4-5-12/h6,8,11-13,15-16H,2-5,7,9-10H2,1H3,(H,18,21)/t13-,16+/m0/s1.
What are the key properties of 2,2-dicyclopropyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]acetamide?
2,2-dicyclopropyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]acetamide has a molecular weight of 303.41 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dicyclopropyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]acetamide is sourced from PubChem (CID 127969351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).