N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide

C12H14N6O2 — CID 122564852

IUPACN-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
SMILESCCc1nnc(CNC(=O)c2cnn3ccn(C)c23)o1
InChIInChI=1S/C12H14N6O2/c1-3-9-15-16-10(20-9)7-13-11(19)8-6-14-18-5-4-17(2)12(8)18/h4-6H,3,7H2,1-2H3,(H,13,19)
InChIKeyODTQHONJUPTGMK-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.55
Rot. Bonds4

About N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide

N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide (PubChem CID 122564852) has the molecular formula C12H14N6O2 and a molecular weight of 274.28 g/mol. Its IUPAC name is N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
PubChem CID122564852
Molecular FormulaC12H14N6O2
Molecular Weight274.28 g/mol
Exact Mass274.12
IUPAC NameN-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
SMILESCCc1nnc(CNC(=O)c2cnn3ccn(C)c23)o1
InChIInChI=1S/C12H14N6O2/c1-3-9-15-16-10(20-9)7-13-11(19)8-6-14-18-5-4-17(2)12(8)18/h4-6H,3,7H2,1-2H3,(H,13,19)
InChIKeyODTQHONJUPTGMK-UHFFFAOYSA-N
XLogP0.55
TPSA90.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
The IUPAC name of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide (CID 122564852) is N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide.
What is the SMILES notation for N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
The canonical SMILES for N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide is CCc1nnc(CNC(=O)c2cnn3ccn(C)c23)o1.
What is the InChIKey of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
The InChIKey is ODTQHONJUPTGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O2/c1-3-9-15-16-10(20-9)7-13-11(19)8-6-14-18-5-4-17(2)12(8)18/h4-6H,3,7H2,1-2H3,(H,13,19).
What are the key properties of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide?
N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide has a molecular weight of 274.28 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide is sourced from PubChem (CID 122564852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).