1-(2,4-dimethylphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine

C17H25N3 — CID 60945720

IUPAC1-(2,4-dimethylphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
SMILESCc1ccc(C(C)NCc2c(C)nn(C)c2C)c(C)c1
InChIInChI=1S/C17H25N3/c1-11-7-8-16(12(2)9-11)13(3)18-10-17-14(4)19-20(6)15(17)5/h7-9,13,18H,10H2,1-6H3
InChIKeyHFGDODLRXVRPHD-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.50
Rot. Bonds4

About 1-(2,4-dimethylphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine

1-(2,4-dimethylphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine (PubChem CID 60945720) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
PubChem CID60945720
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name1-(2,4-dimethylphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
SMILESCc1ccc(C(C)NCc2c(C)nn(C)c2C)c(C)c1
InChIInChI=1S/C17H25N3/c1-11-7-8-16(12(2)9-11)13(3)18-10-17-14(4)19-20(6)15(17)5/h7-9,13,18H,10H2,1-6H3
InChIKeyHFGDODLRXVRPHD-UHFFFAOYSA-N
XLogP3.50
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethylphenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 18767185
1-(2,5-dichlorothiophen-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 103780244
1-(2,4-dimethylphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 62350126
1-(2,4-dimethylphenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
CID 115682383
1-(2,4-dimethylphenyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine
CID 62472782
1-(4-bromophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 60663985
4-(3-methylphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butan-2-amine
CID 79230814
1-(4-ethoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 43233364
1-(2,4-dimethylphenyl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine
CID 62755447
1-(2,4-dimethylphenyl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
CID 66399400
3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol
CID 79254884
1-(1-methylpyrazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 79224959

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine (CID 60945720) is 1-(2,4-dimethylphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine is Cc1ccc(C(C)NCc2c(C)nn(C)c2C)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is HFGDODLRXVRPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-11-7-8-16(12(2)9-11)13(3)18-10-17-14(4)19-20(6)15(17)5/h7-9,13,18H,10H2,1-6H3.
What are the key properties of 1-(2,4-dimethylphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
1-(2,4-dimethylphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 271.41 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 60945720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).