3-[2-(5-amino-2-methylphenyl)ethyl]-1-tert-butyl-N-methylpyrazol-5-amine

C17H26N4 — CID 156751906

IUPAC3-[2-(5-amino-2-methylphenyl)ethyl]-1-tert-butyl-N-methylpyrazol-5-amine
SMILESCNc1cc(CCc2cc(N)ccc2C)nn1C(C)(C)C
InChIInChI=1S/C17H26N4/c1-12-6-8-14(18)10-13(12)7-9-15-11-16(19-5)21(20-15)17(2,3)4/h6,8,10-11,19H,7,9,18H2,1-5H3
InChIKeyXFLPHCOAHPNNON-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.36
Rot. Bonds4

About 3-[2-(5-amino-2-methylphenyl)ethyl]-1-tert-butyl-N-methylpyrazol-5-amine

3-[2-(5-amino-2-methylphenyl)ethyl]-1-tert-butyl-N-methylpyrazol-5-amine (PubChem CID 156751906) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-[2-(5-amino-2-methylphenyl)ethyl]-1-tert-butyl-N-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-[2-(5-amino-2-methylphenyl)ethyl]-1-tert-butyl-N-methylpyrazol-5-amine
PubChem CID156751906
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name3-[2-(5-amino-2-methylphenyl)ethyl]-1-tert-butyl-N-methylpyrazol-5-amine
SMILESCNc1cc(CCc2cc(N)ccc2C)nn1C(C)(C)C
InChIInChI=1S/C17H26N4/c1-12-6-8-14(18)10-13(12)7-9-15-11-16(19-5)21(20-15)17(2,3)4/h6,8,10-11,19H,7,9,18H2,1-5H3
InChIKeyXFLPHCOAHPNNON-UHFFFAOYSA-N
XLogP3.36
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-amino-2-methylphenyl)ethyl]-1-tert-butyl-N-methylpyrazol-5-amine?
The IUPAC name of 3-[2-(5-amino-2-methylphenyl)ethyl]-1-tert-butyl-N-methylpyrazol-5-amine (CID 156751906) is 3-[2-(5-amino-2-methylphenyl)ethyl]-1-tert-butyl-N-methylpyrazol-5-amine.
What is the SMILES notation for 3-[2-(5-amino-2-methylphenyl)ethyl]-1-tert-butyl-N-methylpyrazol-5-amine?
The canonical SMILES for 3-[2-(5-amino-2-methylphenyl)ethyl]-1-tert-butyl-N-methylpyrazol-5-amine is CNc1cc(CCc2cc(N)ccc2C)nn1C(C)(C)C.
What is the InChIKey of 3-[2-(5-amino-2-methylphenyl)ethyl]-1-tert-butyl-N-methylpyrazol-5-amine?
The InChIKey is XFLPHCOAHPNNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-12-6-8-14(18)10-13(12)7-9-15-11-16(19-5)21(20-15)17(2,3)4/h6,8,10-11,19H,7,9,18H2,1-5H3.
What are the key properties of 3-[2-(5-amino-2-methylphenyl)ethyl]-1-tert-butyl-N-methylpyrazol-5-amine?
3-[2-(5-amino-2-methylphenyl)ethyl]-1-tert-butyl-N-methylpyrazol-5-amine has a molecular weight of 286.42 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-amino-2-methylphenyl)ethyl]-1-tert-butyl-N-methylpyrazol-5-amine is sourced from PubChem (CID 156751906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).