3-tert-butyl-1-(3-ethoxyphenyl)pyrazol-5-amine

C15H21N3O — CID 58011098

IUPAC3-tert-butyl-1-(3-ethoxyphenyl)pyrazol-5-amine
SMILESCCOc1cccc(-n2nc(C(C)(C)C)cc2N)c1
InChIInChI=1S/C15H21N3O/c1-5-19-12-8-6-7-11(9-12)18-14(16)10-13(17-18)15(2,3)4/h6-10H,5,16H2,1-4H3
InChIKeyTUNAATDUJZJFBW-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.15
Rot. Bonds3

About 3-tert-butyl-1-(3-ethoxyphenyl)pyrazol-5-amine

3-tert-butyl-1-(3-ethoxyphenyl)pyrazol-5-amine (PubChem CID 58011098) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-tert-butyl-1-(3-ethoxyphenyl)pyrazol-5-amine.

Molecular Properties

Compound Name3-tert-butyl-1-(3-ethoxyphenyl)pyrazol-5-amine
PubChem CID58011098
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-tert-butyl-1-(3-ethoxyphenyl)pyrazol-5-amine
SMILESCCOc1cccc(-n2nc(C(C)(C)C)cc2N)c1
InChIInChI=1S/C15H21N3O/c1-5-19-12-8-6-7-11(9-12)18-14(16)10-13(17-18)15(2,3)4/h6-10H,5,16H2,1-4H3
InChIKeyTUNAATDUJZJFBW-UHFFFAOYSA-N
XLogP3.15
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-tert-butyl-1-[3-(4-ethylphenoxy)phenyl]pyrazol-5-amine
CID 11616976
3-tert-butyl-1-(4-ethylphenyl)pyrazol-5-amine;hydrochloride
CID 68538663
3-tert-butyl-1-(3-methoxy-4-methylphenyl)pyrazol-5-amine
CID 59151784
1-(3-ethoxyphenyl)-5-ethyltriazol-4-amine
CID 79508943
5-(5-amino-3-tert-butylpyrazol-1-yl)-2-methylphenol
CID 22972803
3-(4-ethoxyphenyl)-1-phenylpyrazol-5-amine
CID 43336761
3-tert-butyl-1-pyridin-2-ylpyrazol-5-amine
CID 43381330
3-tert-butyl-1-[4-[(dimethylamino)methyl]phenyl]pyrazol-5-amine
CID 67021582
2-[3-(4-tert-butylimidazol-1-yl)phenoxy]ethanamine
CID 96687338
1-tert-butyl-3-(3-ethoxyphenyl)pyrazole
CID 174113162
2-(5-amino-3-tert-butylpyrazol-1-yl)benzoic acid
CID 141134718
tert-butyl 2-[[1-(3-ethoxyphenyl)-5-propyl-1,2,4-triazol-3-yl]oxy]butanoate
CID 54201240

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(3-ethoxyphenyl)pyrazol-5-amine?
The IUPAC name of 3-tert-butyl-1-(3-ethoxyphenyl)pyrazol-5-amine (CID 58011098) is 3-tert-butyl-1-(3-ethoxyphenyl)pyrazol-5-amine.
What is the SMILES notation for 3-tert-butyl-1-(3-ethoxyphenyl)pyrazol-5-amine?
The canonical SMILES for 3-tert-butyl-1-(3-ethoxyphenyl)pyrazol-5-amine is CCOc1cccc(-n2nc(C(C)(C)C)cc2N)c1.
What is the InChIKey of 3-tert-butyl-1-(3-ethoxyphenyl)pyrazol-5-amine?
The InChIKey is TUNAATDUJZJFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-5-19-12-8-6-7-11(9-12)18-14(16)10-13(17-18)15(2,3)4/h6-10H,5,16H2,1-4H3.
What are the key properties of 3-tert-butyl-1-(3-ethoxyphenyl)pyrazol-5-amine?
3-tert-butyl-1-(3-ethoxyphenyl)pyrazol-5-amine has a molecular weight of 259.35 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(3-ethoxyphenyl)pyrazol-5-amine is sourced from PubChem (CID 58011098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).