(2R,3R)-N-ethyl-2-(1-ethylimidazol-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]oxolane-3-carboxamide

C17H25N5O2 — CID 128980532

IUPAC(2R,3R)-N-ethyl-2-(1-ethylimidazol-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]oxolane-3-carboxamide
SMILESCCN(Cc1cnn(C)c1)C(=O)[C@@H]1CCO[C@H]1c1nccn1CC
InChIInChI=1S/C17H25N5O2/c1-4-21-8-7-18-16(21)15-14(6-9-24-15)17(23)22(5-2)12-13-10-19-20(3)11-13/h7-8,10-11,14-15H,4-6,9,12H2,1-3H3/t14-,15-/m1/s1
InChIKeyNMIHQQKGPXKCLK-HUUCEWRRSA-N
MW331.42 g/mol
LogP1.76
Rot. Bonds6

About (2R,3R)-N-ethyl-2-(1-ethylimidazol-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]oxolane-3-carboxamide

(2R,3R)-N-ethyl-2-(1-ethylimidazol-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]oxolane-3-carboxamide (PubChem CID 128980532) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is (2R,3R)-N-ethyl-2-(1-ethylimidazol-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-ethyl-2-(1-ethylimidazol-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]oxolane-3-carboxamide
PubChem CID128980532
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name(2R,3R)-N-ethyl-2-(1-ethylimidazol-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]oxolane-3-carboxamide
SMILESCCN(Cc1cnn(C)c1)C(=O)[C@@H]1CCO[C@H]1c1nccn1CC
InChIInChI=1S/C17H25N5O2/c1-4-21-8-7-18-16(21)15-14(6-9-24-15)17(23)22(5-2)12-13-10-19-20(3)11-13/h7-8,10-11,14-15H,4-6,9,12H2,1-3H3/t14-,15-/m1/s1
InChIKeyNMIHQQKGPXKCLK-HUUCEWRRSA-N
XLogP1.76
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-ethyl-2-(1-ethylimidazol-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]oxolane-3-carboxamide?
The IUPAC name of (2R,3R)-N-ethyl-2-(1-ethylimidazol-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]oxolane-3-carboxamide (CID 128980532) is (2R,3R)-N-ethyl-2-(1-ethylimidazol-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for (2R,3R)-N-ethyl-2-(1-ethylimidazol-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]oxolane-3-carboxamide?
The canonical SMILES for (2R,3R)-N-ethyl-2-(1-ethylimidazol-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]oxolane-3-carboxamide is CCN(Cc1cnn(C)c1)C(=O)[C@@H]1CCO[C@H]1c1nccn1CC.
What is the InChIKey of (2R,3R)-N-ethyl-2-(1-ethylimidazol-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]oxolane-3-carboxamide?
The InChIKey is NMIHQQKGPXKCLK-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-4-21-8-7-18-16(21)15-14(6-9-24-15)17(23)22(5-2)12-13-10-19-20(3)11-13/h7-8,10-11,14-15H,4-6,9,12H2,1-3H3/t14-,15-/m1/s1.
What are the key properties of (2R,3R)-N-ethyl-2-(1-ethylimidazol-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]oxolane-3-carboxamide?
(2R,3R)-N-ethyl-2-(1-ethylimidazol-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]oxolane-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.76, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-ethyl-2-(1-ethylimidazol-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 128980532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).