2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)ethanol

C17H25N3O — CID 83092233

IUPAC2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)ethanol
SMILESCc1ccccc1NC(CO)c1cn(C)nc1C(C)(C)C
InChIInChI=1S/C17H25N3O/c1-12-8-6-7-9-14(12)18-15(11-21)13-10-20(5)19-16(13)17(2,3)4/h6-10,15,18,21H,11H2,1-5H3
InChIKeyOBSNYAOFOQSOBI-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.17
Rot. Bonds4

About 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)ethanol

2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)ethanol (PubChem CID 83092233) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)ethanol.

Molecular Properties

Compound Name2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)ethanol
PubChem CID83092233
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)ethanol
SMILESCc1ccccc1NC(CO)c1cn(C)nc1C(C)(C)C
InChIInChI=1S/C17H25N3O/c1-12-8-6-7-9-14(12)18-15(11-21)13-10-20(5)19-16(13)17(2,3)4/h6-10,15,18,21H,11H2,1-5H3
InChIKeyOBSNYAOFOQSOBI-UHFFFAOYSA-N
XLogP3.17
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)acetonitrile
CID 83091019
1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-(2-fluorophenyl)ethane-1,2-diamine
CID 83090827
N-(2-bromophenyl)-1-(3-tert-butyl-1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 83090822
2-(2-methylanilino)-2-naphthalen-1-ylethanol
CID 61047528
2-(2-methoxyphenyl)-2-(2-methylanilino)ethanol
CID 61047526
(3-tert-butyl-1-methylpyrazol-4-yl)-phenylmethanol
CID 83090018
3-(3-tert-butyl-1-methylpyrazol-4-yl)-3-(methylamino)propanoic acid
CID 83095088
ethyl 2-(1,3-dimethylpyrazol-4-yl)-2-(2-methylanilino)acetate
CID 83091037
(1R)-N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 83090494
methyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)acetate
CID 115990144
2-(4-chlorophenyl)-2-(2-methylanilino)ethanol
CID 61045329
2-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)acetonitrile
CID 112669631

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)ethanol?
The IUPAC name of 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)ethanol (CID 83092233) is 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)ethanol.
What is the SMILES notation for 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)ethanol?
The canonical SMILES for 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)ethanol is Cc1ccccc1NC(CO)c1cn(C)nc1C(C)(C)C.
What is the InChIKey of 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)ethanol?
The InChIKey is OBSNYAOFOQSOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-12-8-6-7-9-14(12)18-15(11-21)13-10-20(5)19-16(13)17(2,3)4/h6-10,15,18,21H,11H2,1-5H3.
What are the key properties of 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)ethanol?
2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)ethanol has a molecular weight of 287.41 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(2-methylanilino)ethanol is sourced from PubChem (CID 83092233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).