1-[2-(4-tert-butyl-2-methylphenoxy)ethyl]pyrazol-4-amine

C16H23N3O — CID 62138648

IUPAC1-[2-(4-tert-butyl-2-methylphenoxy)ethyl]pyrazol-4-amine
SMILESCc1cc(C(C)(C)C)ccc1OCCn1cc(N)cn1
InChIInChI=1S/C16H23N3O/c1-12-9-13(16(2,3)4)5-6-15(12)20-8-7-19-11-14(17)10-18-19/h5-6,9-11H,7-8,17H2,1-4H3
InChIKeyCAIGKMSTSBCUPX-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.15
Rot. Bonds4

About 1-[2-(4-tert-butyl-2-methylphenoxy)ethyl]pyrazol-4-amine

1-[2-(4-tert-butyl-2-methylphenoxy)ethyl]pyrazol-4-amine (PubChem CID 62138648) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-[2-(4-tert-butyl-2-methylphenoxy)ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[2-(4-tert-butyl-2-methylphenoxy)ethyl]pyrazol-4-amine
PubChem CID62138648
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-[2-(4-tert-butyl-2-methylphenoxy)ethyl]pyrazol-4-amine
SMILESCc1cc(C(C)(C)C)ccc1OCCn1cc(N)cn1
InChIInChI=1S/C16H23N3O/c1-12-9-13(16(2,3)4)5-6-15(12)20-8-7-19-11-14(17)10-18-19/h5-6,9-11H,7-8,17H2,1-4H3
InChIKeyCAIGKMSTSBCUPX-UHFFFAOYSA-N
XLogP3.15
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-tert-butyl-4-ethylphenoxy)ethyl]pyrazol-4-amine
CID 62137713
1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-amine
CID 7017256
1-[2-(4-ethoxyphenoxy)ethyl]pyrazol-4-amine
CID 62138455
1-[2-(4-methoxyphenoxy)ethyl]pyrazol-4-amine
CID 62137352
1-[2-(2-iodophenoxy)ethyl]pyrazol-4-amine
CID 62139197
1-[2-(4-fluorophenoxy)ethyl]pyrazol-4-amine
CID 50999569
1-(2-ethoxyethyl)pyrazol-4-amine
CID 43457185
2-(4-tert-butyl-2-methylphenoxy)pyrimidin-5-amine
CID 61146941
1-[2-(2,6-dichlorophenoxy)ethyl]pyrazol-4-amine
CID 62136821
4-tert-butyl-1-(5-chloropentoxy)-2-methylbenzene
CID 43351908
1-[2-[2-(dimethylamino)ethoxy]ethyl]pyrazol-4-amine
CID 142144905
4-tert-butyl-1-but-3-ynoxy-2-methylbenzene
CID 55248880

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butyl-2-methylphenoxy)ethyl]pyrazol-4-amine?
The IUPAC name of 1-[2-(4-tert-butyl-2-methylphenoxy)ethyl]pyrazol-4-amine (CID 62138648) is 1-[2-(4-tert-butyl-2-methylphenoxy)ethyl]pyrazol-4-amine.
What is the SMILES notation for 1-[2-(4-tert-butyl-2-methylphenoxy)ethyl]pyrazol-4-amine?
The canonical SMILES for 1-[2-(4-tert-butyl-2-methylphenoxy)ethyl]pyrazol-4-amine is Cc1cc(C(C)(C)C)ccc1OCCn1cc(N)cn1.
What is the InChIKey of 1-[2-(4-tert-butyl-2-methylphenoxy)ethyl]pyrazol-4-amine?
The InChIKey is CAIGKMSTSBCUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12-9-13(16(2,3)4)5-6-15(12)20-8-7-19-11-14(17)10-18-19/h5-6,9-11H,7-8,17H2,1-4H3.
What are the key properties of 1-[2-(4-tert-butyl-2-methylphenoxy)ethyl]pyrazol-4-amine?
1-[2-(4-tert-butyl-2-methylphenoxy)ethyl]pyrazol-4-amine has a molecular weight of 273.38 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tert-butyl-2-methylphenoxy)ethyl]pyrazol-4-amine is sourced from PubChem (CID 62138648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).