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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).