(4-tert-butylphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine

C17H25N3 — CID 102812253

IUPAC(4-tert-butylphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine
SMILESCCc1nn(C)cc1C(N)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H25N3/c1-6-15-14(11-20(5)19-15)16(18)12-7-9-13(10-8-12)17(2,3)4/h7-11,16H,6,18H2,1-5H3
InChIKeyHHYLDEQHOFLPKF-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.33
Rot. Bonds3

About (4-tert-butylphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine

(4-tert-butylphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine (PubChem CID 102812253) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is (4-tert-butylphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(4-tert-butylphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine
PubChem CID102812253
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name(4-tert-butylphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine
SMILESCCc1nn(C)cc1C(N)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H25N3/c1-6-15-14(11-20(5)19-15)16(18)12-7-9-13(10-8-12)17(2,3)4/h7-11,16H,6,18H2,1-5H3
InChIKeyHHYLDEQHOFLPKF-UHFFFAOYSA-N
XLogP3.33
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butylphenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol
CID 115990490
(3-ethyl-1-methylpyrazol-4-yl)-pyridin-3-ylmethanamine
CID 102812033
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(3-ethyl-1-methylpyrazol-4-yl)methanamine
CID 102812303
(3-ethyl-1-methylpyrazol-4-yl)-(4-methoxy-2-methylphenyl)methanamine
CID 102812112
(3-ethyl-1-methylpyrazol-4-yl)-(3-methylthiophen-2-yl)methanamine
CID 102812622
(2-ethoxyphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine
CID 102812331
[1-(3-ethyl-1-methylpyrazol-4-yl)-2,2-dimethylpropyl]hydrazine
CID 102813091
(3-ethyl-1-methylpyrazol-4-yl)-(1-methylimidazol-2-yl)methanamine
CID 102812396
2-amino-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol
CID 130166119
(4-tert-butylphenyl)-(1-methylimidazol-4-yl)methanamine
CID 107974705
(3-ethyl-1-methylpyrazol-4-yl)-(3-propyltriazol-4-yl)methanamine
CID 102812830
1-(3-ethyl-1-methylpyrazol-4-yl)-2-phenylethanamine
CID 102811949

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine?
The IUPAC name of (4-tert-butylphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine (CID 102812253) is (4-tert-butylphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine.
What is the SMILES notation for (4-tert-butylphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine?
The canonical SMILES for (4-tert-butylphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine is CCc1nn(C)cc1C(N)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of (4-tert-butylphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine?
The InChIKey is HHYLDEQHOFLPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-6-15-14(11-20(5)19-15)16(18)12-7-9-13(10-8-12)17(2,3)4/h7-11,16H,6,18H2,1-5H3.
What are the key properties of (4-tert-butylphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine?
(4-tert-butylphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine has a molecular weight of 271.41 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine is sourced from PubChem (CID 102812253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).