2-methyl-5-[2-(oxetan-3-yl)pyrazol-3-yl]-1H-imidazole

C10H12N4O — CID 167145731

IUPAC2-methyl-5-[2-(oxetan-3-yl)pyrazol-3-yl]-1H-imidazole
SMILESCc1ncc(-c2ccnn2C2COC2)[nH]1
InChIInChI=1S/C10H12N4O/c1-7-11-4-9(13-7)10-2-3-12-14(10)8-5-15-6-8/h2-4,8H,5-6H2,1H3,(H,11,13)
InChIKeyCSSCACNFZTXIII-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.15
Rot. Bonds2

About 2-methyl-5-[2-(oxetan-3-yl)pyrazol-3-yl]-1H-imidazole

2-methyl-5-[2-(oxetan-3-yl)pyrazol-3-yl]-1H-imidazole (PubChem CID 167145731) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-methyl-5-[2-(oxetan-3-yl)pyrazol-3-yl]-1H-imidazole.

Molecular Properties

Compound Name2-methyl-5-[2-(oxetan-3-yl)pyrazol-3-yl]-1H-imidazole
PubChem CID167145731
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name2-methyl-5-[2-(oxetan-3-yl)pyrazol-3-yl]-1H-imidazole
SMILESCc1ncc(-c2ccnn2C2COC2)[nH]1
InChIInChI=1S/C10H12N4O/c1-7-11-4-9(13-7)10-2-3-12-14(10)8-5-15-6-8/h2-4,8H,5-6H2,1H3,(H,11,13)
InChIKeyCSSCACNFZTXIII-UHFFFAOYSA-N
XLogP1.15
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-ethyl-4-fluoro-5-(1H-imidazol-5-yl)-3-methylpyrazole
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1-(4,4-difluorobutyl)-5-(1H-imidazol-5-yl)-3-methylpyrazole
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5-(1H-imidazol-5-yl)-3-methyl-1-(2,2,2-trifluoroethyl)pyrazole
CID 165170525
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2-methyl-1-[5-(2-methyl-1H-imidazol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine;hydrochloride
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CID 137062103
3-[(2S,4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]-6-(trifluoromethyl)pyridazine
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-(oxetan-3-yl)pyrazol-3-yl]-1H-imidazole?
The IUPAC name of 2-methyl-5-[2-(oxetan-3-yl)pyrazol-3-yl]-1H-imidazole (CID 167145731) is 2-methyl-5-[2-(oxetan-3-yl)pyrazol-3-yl]-1H-imidazole.
What is the SMILES notation for 2-methyl-5-[2-(oxetan-3-yl)pyrazol-3-yl]-1H-imidazole?
The canonical SMILES for 2-methyl-5-[2-(oxetan-3-yl)pyrazol-3-yl]-1H-imidazole is Cc1ncc(-c2ccnn2C2COC2)[nH]1.
What is the InChIKey of 2-methyl-5-[2-(oxetan-3-yl)pyrazol-3-yl]-1H-imidazole?
The InChIKey is CSSCACNFZTXIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-7-11-4-9(13-7)10-2-3-12-14(10)8-5-15-6-8/h2-4,8H,5-6H2,1H3,(H,11,13).
What are the key properties of 2-methyl-5-[2-(oxetan-3-yl)pyrazol-3-yl]-1H-imidazole?
2-methyl-5-[2-(oxetan-3-yl)pyrazol-3-yl]-1H-imidazole has a molecular weight of 204.23 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-(oxetan-3-yl)pyrazol-3-yl]-1H-imidazole is sourced from PubChem (CID 167145731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).