5-ethyl-3-(1H-imidazol-2-ylmethyl)-1-methyl-4-(oxolan-2-ylmethyl)pyrazole

C15H22N4O — CID 141212959

IUPAC5-ethyl-3-(1H-imidazol-2-ylmethyl)-1-methyl-4-(oxolan-2-ylmethyl)pyrazole
SMILESCCc1c(CC2CCCO2)c(Cc2ncc[nH]2)nn1C
InChIInChI=1S/C15H22N4O/c1-3-14-12(9-11-5-4-8-20-11)13(18-19(14)2)10-15-16-6-7-17-15/h6-7,11H,3-5,8-10H2,1-2H3,(H,16,17)
InChIKeyKQORFORCYIDVFH-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.02
Rot. Bonds5

About 5-ethyl-3-(1H-imidazol-2-ylmethyl)-1-methyl-4-(oxolan-2-ylmethyl)pyrazole

5-ethyl-3-(1H-imidazol-2-ylmethyl)-1-methyl-4-(oxolan-2-ylmethyl)pyrazole (PubChem CID 141212959) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 5-ethyl-3-(1H-imidazol-2-ylmethyl)-1-methyl-4-(oxolan-2-ylmethyl)pyrazole.

Molecular Properties

Compound Name5-ethyl-3-(1H-imidazol-2-ylmethyl)-1-methyl-4-(oxolan-2-ylmethyl)pyrazole
PubChem CID141212959
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name5-ethyl-3-(1H-imidazol-2-ylmethyl)-1-methyl-4-(oxolan-2-ylmethyl)pyrazole
SMILESCCc1c(CC2CCCO2)c(Cc2ncc[nH]2)nn1C
InChIInChI=1S/C15H22N4O/c1-3-14-12(9-11-5-4-8-20-11)13(18-19(14)2)10-15-16-6-7-17-15/h6-7,11H,3-5,8-10H2,1-2H3,(H,16,17)
InChIKeyKQORFORCYIDVFH-UHFFFAOYSA-N
XLogP2.02
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(1H-imidazol-2-ylmethyl)-1-methyl-4-(oxolan-2-ylmethyl)pyrazole?
The IUPAC name of 5-ethyl-3-(1H-imidazol-2-ylmethyl)-1-methyl-4-(oxolan-2-ylmethyl)pyrazole (CID 141212959) is 5-ethyl-3-(1H-imidazol-2-ylmethyl)-1-methyl-4-(oxolan-2-ylmethyl)pyrazole.
What is the SMILES notation for 5-ethyl-3-(1H-imidazol-2-ylmethyl)-1-methyl-4-(oxolan-2-ylmethyl)pyrazole?
The canonical SMILES for 5-ethyl-3-(1H-imidazol-2-ylmethyl)-1-methyl-4-(oxolan-2-ylmethyl)pyrazole is CCc1c(CC2CCCO2)c(Cc2ncc[nH]2)nn1C.
What is the InChIKey of 5-ethyl-3-(1H-imidazol-2-ylmethyl)-1-methyl-4-(oxolan-2-ylmethyl)pyrazole?
The InChIKey is KQORFORCYIDVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-3-14-12(9-11-5-4-8-20-11)13(18-19(14)2)10-15-16-6-7-17-15/h6-7,11H,3-5,8-10H2,1-2H3,(H,16,17).
What are the key properties of 5-ethyl-3-(1H-imidazol-2-ylmethyl)-1-methyl-4-(oxolan-2-ylmethyl)pyrazole?
5-ethyl-3-(1H-imidazol-2-ylmethyl)-1-methyl-4-(oxolan-2-ylmethyl)pyrazole has a molecular weight of 274.37 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(1H-imidazol-2-ylmethyl)-1-methyl-4-(oxolan-2-ylmethyl)pyrazole is sourced from PubChem (CID 141212959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).