2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-tert-butylphenyl)ethanamine

C20H31N3 — CID 83987721

IUPAC2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-tert-butylphenyl)ethanamine
SMILESCn1nc(C(C)(C)C)cc1C(CN)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H31N3/c1-19(2,3)15-10-8-14(9-11-15)16(13-21)17-12-18(20(4,5)6)22-23(17)7/h8-12,16H,13,21H2,1-7H3
InChIKeyRTWZDVKRDLBZLM-UHFFFAOYSA-N
MW313.49 g/mol
LogP4.11
Rot. Bonds3

About 2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-tert-butylphenyl)ethanamine

2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-tert-butylphenyl)ethanamine (PubChem CID 83987721) has the molecular formula C20H31N3 and a molecular weight of 313.49 g/mol. Its IUPAC name is 2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-tert-butylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-tert-butylphenyl)ethanamine
PubChem CID83987721
Molecular FormulaC20H31N3
Molecular Weight313.49 g/mol
Exact Mass313.25
IUPAC Name2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-tert-butylphenyl)ethanamine
SMILESCn1nc(C(C)(C)C)cc1C(CN)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H31N3/c1-19(2,3)15-10-8-14(9-11-15)16(13-21)17-12-18(20(4,5)6)22-23(17)7/h8-12,16H,13,21H2,1-7H3
InChIKeyRTWZDVKRDLBZLM-UHFFFAOYSA-N
XLogP4.11
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 83986514
2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-chlorophenyl)ethanamine
CID 83986380
2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3,4-difluorophenyl)ethanamine
CID 83986713
2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-methoxy-3-methylphenyl)ethanamine
CID 83986828
2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(5-fluoro-2-methoxyphenyl)ethanamine
CID 83987069
4-[2-amino-1-(2,5-dimethylpyrazol-3-yl)ethyl]phenol
CID 83987249
2-(4-tert-butylphenyl)-2-(1H-pyrrol-3-yl)ethanamine
CID 82293455
2-(4-methoxyphenyl)-2-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine
CID 83986338
(3-tert-butyl-1-methylpyrazol-5-yl)methanamine
CID 66644048
2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-methylpropan-1-amine
CID 83834642
[(4-tert-butylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]hydrazine
CID 105300373
5-bromo-3-tert-butyl-1-methylpyrazole
CID 77231419

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-tert-butylphenyl)ethanamine?
The IUPAC name of 2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-tert-butylphenyl)ethanamine (CID 83987721) is 2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-tert-butylphenyl)ethanamine.
What is the SMILES notation for 2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-tert-butylphenyl)ethanamine?
The canonical SMILES for 2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-tert-butylphenyl)ethanamine is Cn1nc(C(C)(C)C)cc1C(CN)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-tert-butylphenyl)ethanamine?
The InChIKey is RTWZDVKRDLBZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3/c1-19(2,3)15-10-8-14(9-11-15)16(13-21)17-12-18(20(4,5)6)22-23(17)7/h8-12,16H,13,21H2,1-7H3.
What are the key properties of 2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-tert-butylphenyl)ethanamine?
2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-tert-butylphenyl)ethanamine has a molecular weight of 313.49 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-tert-butylphenyl)ethanamine is sourced from PubChem (CID 83987721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).