3-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]oxetan-3-amine

C16H17N5O — CID 141430298

IUPAC3-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]oxetan-3-amine
SMILESCc1ccc(-c2cc(C3(N)COC3)[nH]n2)cc1-n1ccnc1
InChIInChI=1S/C16H17N5O/c1-11-2-3-12(6-14(11)21-5-4-18-10-21)13-7-15(20-19-13)16(17)8-22-9-16/h2-7,10H,8-9,17H2,1H3,(H,19,20)
InChIKeyIJRJYDCCBWTENO-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.76
Rot. Bonds3

About 3-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]oxetan-3-amine

3-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]oxetan-3-amine (PubChem CID 141430298) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 3-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]oxetan-3-amine.

Molecular Properties

Compound Name3-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]oxetan-3-amine
PubChem CID141430298
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name3-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]oxetan-3-amine
SMILESCc1ccc(-c2cc(C3(N)COC3)[nH]n2)cc1-n1ccnc1
InChIInChI=1S/C16H17N5O/c1-11-2-3-12(6-14(11)21-5-4-18-10-21)13-7-15(20-19-13)16(17)8-22-9-16/h2-7,10H,8-9,17H2,1H3,(H,19,20)
InChIKeyIJRJYDCCBWTENO-UHFFFAOYSA-N
XLogP1.76
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]-2-phenylethanol
CID 50978164
1-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-5-(2-methylprop-1-enyl)-4-phenylimidazole
CID 95119897
1-[(2S)-1-methoxybutan-2-yl]-5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazole
CID 95206699
1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-5-[(3R)-oxolan-3-yl]-4-phenylimidazole
CID 95216416
(2R)-1,1,1-trifluoro-3-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]propan-2-ol
CID 141365166
3-(2-fluoro-5-imidazol-1-yl-4-methylphenyl)-5-(2-methoxyethoxymethyl)-1H-pyrazole
CID 141365181
5-(1,3-difluoropropan-2-yloxymethyl)-3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazole
CID 141365187
5-[(3-fluoroazetidin-1-yl)methyl]-3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazole
CID 141430290
1-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazole
CID 50957476
3-ethyl-5-[[5-(5-methyl-1H-pyrazol-3-yl)-4-phenylimidazol-1-yl]methyl]-4,5-dihydro-1,2-oxazole
CID 50965419
3-[3-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-5-phenylimidazol-4-yl]pyridine
CID 50966393
2-(5-ethyl-1H-pyrazol-3-yl)-1-[(4-phenyloxan-4-yl)methyl]imidazole
CID 56874744

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]oxetan-3-amine?
The IUPAC name of 3-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]oxetan-3-amine (CID 141430298) is 3-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]oxetan-3-amine.
What is the SMILES notation for 3-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]oxetan-3-amine?
The canonical SMILES for 3-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]oxetan-3-amine is Cc1ccc(-c2cc(C3(N)COC3)[nH]n2)cc1-n1ccnc1.
What is the InChIKey of 3-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]oxetan-3-amine?
The InChIKey is IJRJYDCCBWTENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-11-2-3-12(6-14(11)21-5-4-18-10-21)13-7-15(20-19-13)16(17)8-22-9-16/h2-7,10H,8-9,17H2,1H3,(H,19,20).
What are the key properties of 3-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]oxetan-3-amine?
3-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]oxetan-3-amine has a molecular weight of 295.35 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-imidazol-1-yl-4-methylphenyl)-1H-pyrazol-5-yl]oxetan-3-amine is sourced from PubChem (CID 141430298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).