1-(4-tert-butylphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine

C17H25N3 — CID 61459928

IUPAC1-(4-tert-butylphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
SMILESCC(NCCn1cccn1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H25N3/c1-14(18-11-13-20-12-5-10-19-20)15-6-8-16(9-7-15)17(2,3)4/h5-10,12,14,18H,11,13H2,1-4H3
InChIKeyYGNFAFLGNZYXDY-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.53
Rot. Bonds5

About 1-(4-tert-butylphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine

1-(4-tert-butylphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine (PubChem CID 61459928) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
PubChem CID61459928
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name1-(4-tert-butylphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
SMILESCC(NCCn1cccn1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H25N3/c1-14(18-11-13-20-12-5-10-19-20)15-6-8-16(9-7-15)17(2,3)4/h5-10,12,14,18H,11,13H2,1-4H3
InChIKeyYGNFAFLGNZYXDY-UHFFFAOYSA-N
XLogP3.53
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine?
The IUPAC name of 1-(4-tert-butylphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine (CID 61459928) is 1-(4-tert-butylphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine?
The canonical SMILES for 1-(4-tert-butylphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine is CC(NCCn1cccn1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine?
The InChIKey is YGNFAFLGNZYXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-14(18-11-13-20-12-5-10-19-20)15-6-8-16(9-7-15)17(2,3)4/h5-10,12,14,18H,11,13H2,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine?
1-(4-tert-butylphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine has a molecular weight of 271.41 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine is sourced from PubChem (CID 61459928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).