2-[5-(2-methylpropyl)-1H-pyrazol-3-yl]-1-[[(2S)-oxolan-2-yl]methyl]imidazole

C15H22N4O — CID 70757013

IUPAC2-[5-(2-methylpropyl)-1H-pyrazol-3-yl]-1-[[(2S)-oxolan-2-yl]methyl]imidazole
SMILESCC(C)Cc1cc(-c2nccn2C[C@@H]2CCCO2)n[nH]1
InChIInChI=1S/C15H22N4O/c1-11(2)8-12-9-14(18-17-12)15-16-5-6-19(15)10-13-4-3-7-20-13/h5-6,9,11,13H,3-4,7-8,10H2,1-2H3,(H,17,18)/t13-/m0/s1
InChIKeyJZXQBRUUMCVJDT-ZDUSSCGKSA-N
MW274.37 g/mol
LogP2.65
Rot. Bonds5

About 2-[5-(2-methylpropyl)-1H-pyrazol-3-yl]-1-[[(2S)-oxolan-2-yl]methyl]imidazole

2-[5-(2-methylpropyl)-1H-pyrazol-3-yl]-1-[[(2S)-oxolan-2-yl]methyl]imidazole (PubChem CID 70757013) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-[5-(2-methylpropyl)-1H-pyrazol-3-yl]-1-[[(2S)-oxolan-2-yl]methyl]imidazole.

Molecular Properties

Compound Name2-[5-(2-methylpropyl)-1H-pyrazol-3-yl]-1-[[(2S)-oxolan-2-yl]methyl]imidazole
PubChem CID70757013
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-[5-(2-methylpropyl)-1H-pyrazol-3-yl]-1-[[(2S)-oxolan-2-yl]methyl]imidazole
SMILESCC(C)Cc1cc(-c2nccn2C[C@@H]2CCCO2)n[nH]1
InChIInChI=1S/C15H22N4O/c1-11(2)8-12-9-14(18-17-12)15-16-5-6-19(15)10-13-4-3-7-20-13/h5-6,9,11,13H,3-4,7-8,10H2,1-2H3,(H,17,18)/t13-/m0/s1
InChIKeyJZXQBRUUMCVJDT-ZDUSSCGKSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methylpropyl)-1H-pyrazol-3-yl]-1-[[(2S)-oxolan-2-yl]methyl]imidazole?
The IUPAC name of 2-[5-(2-methylpropyl)-1H-pyrazol-3-yl]-1-[[(2S)-oxolan-2-yl]methyl]imidazole (CID 70757013) is 2-[5-(2-methylpropyl)-1H-pyrazol-3-yl]-1-[[(2S)-oxolan-2-yl]methyl]imidazole.
What is the SMILES notation for 2-[5-(2-methylpropyl)-1H-pyrazol-3-yl]-1-[[(2S)-oxolan-2-yl]methyl]imidazole?
The canonical SMILES for 2-[5-(2-methylpropyl)-1H-pyrazol-3-yl]-1-[[(2S)-oxolan-2-yl]methyl]imidazole is CC(C)Cc1cc(-c2nccn2C[C@@H]2CCCO2)n[nH]1.
What is the InChIKey of 2-[5-(2-methylpropyl)-1H-pyrazol-3-yl]-1-[[(2S)-oxolan-2-yl]methyl]imidazole?
The InChIKey is JZXQBRUUMCVJDT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N4O/c1-11(2)8-12-9-14(18-17-12)15-16-5-6-19(15)10-13-4-3-7-20-13/h5-6,9,11,13H,3-4,7-8,10H2,1-2H3,(H,17,18)/t13-/m0/s1.
What are the key properties of 2-[5-(2-methylpropyl)-1H-pyrazol-3-yl]-1-[[(2S)-oxolan-2-yl]methyl]imidazole?
2-[5-(2-methylpropyl)-1H-pyrazol-3-yl]-1-[[(2S)-oxolan-2-yl]methyl]imidazole has a molecular weight of 274.37 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methylpropyl)-1H-pyrazol-3-yl]-1-[[(2S)-oxolan-2-yl]methyl]imidazole is sourced from PubChem (CID 70757013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).