N-[(3S,4R)-4-ethoxyoxolan-3-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide

C13H18N4O3 — CID 50976943

IUPACN-[(3S,4R)-4-ethoxyoxolan-3-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
SMILESCCO[C@H]1COC[C@@H]1NC(=O)c1cnn2ccn(C)c12
InChIInChI=1S/C13H18N4O3/c1-3-20-11-8-19-7-10(11)15-12(18)9-6-14-17-5-4-16(2)13(9)17/h4-6,10-11H,3,7-8H2,1-2H3,(H,15,18)/t10-,11-/m0/s1
InChIKeyRAURJDVOHQMCEA-QWRGUYRKSA-N
MW278.31 g/mol
LogP0.21
Rot. Bonds4

About N-[(3S,4R)-4-ethoxyoxolan-3-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide

N-[(3S,4R)-4-ethoxyoxolan-3-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide (PubChem CID 50976943) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-[(3S,4R)-4-ethoxyoxolan-3-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-ethoxyoxolan-3-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
PubChem CID50976943
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC NameN-[(3S,4R)-4-ethoxyoxolan-3-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
SMILESCCO[C@H]1COC[C@@H]1NC(=O)c1cnn2ccn(C)c12
InChIInChI=1S/C13H18N4O3/c1-3-20-11-8-19-7-10(11)15-12(18)9-6-14-17-5-4-16(2)13(9)17/h4-6,10-11H,3,7-8H2,1-2H3,(H,15,18)/t10-,11-/m0/s1
InChIKeyRAURJDVOHQMCEA-QWRGUYRKSA-N
XLogP0.21
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-ethoxyoxolan-3-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
The IUPAC name of N-[(3S,4R)-4-ethoxyoxolan-3-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide (CID 50976943) is N-[(3S,4R)-4-ethoxyoxolan-3-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide.
What is the SMILES notation for N-[(3S,4R)-4-ethoxyoxolan-3-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
The canonical SMILES for N-[(3S,4R)-4-ethoxyoxolan-3-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide is CCO[C@H]1COC[C@@H]1NC(=O)c1cnn2ccn(C)c12.
What is the InChIKey of N-[(3S,4R)-4-ethoxyoxolan-3-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
The InChIKey is RAURJDVOHQMCEA-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-3-20-11-8-19-7-10(11)15-12(18)9-6-14-17-5-4-16(2)13(9)17/h4-6,10-11H,3,7-8H2,1-2H3,(H,15,18)/t10-,11-/m0/s1.
What are the key properties of N-[(3S,4R)-4-ethoxyoxolan-3-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
N-[(3S,4R)-4-ethoxyoxolan-3-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-ethoxyoxolan-3-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide is sourced from PubChem (CID 50976943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).