3-[1-(2,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine

C17H25N3 — CID 79225551

IUPAC3-[1-(2,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine
SMILESCc1ccc(-n2nc(C)c(CC(C)CN)c2C)c(C)c1
InChIInChI=1S/C17H25N3/c1-11-6-7-17(13(3)8-11)20-15(5)16(14(4)19-20)9-12(2)10-18/h6-8,12H,9-10,18H2,1-5H3
InChIKeyZAVJQNDRJCXHGQ-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.24
Rot. Bonds4

About 3-[1-(2,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine

3-[1-(2,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine (PubChem CID 79225551) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 3-[1-(2,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-[1-(2,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine
PubChem CID79225551
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name3-[1-(2,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine
SMILESCc1ccc(-n2nc(C)c(CC(C)CN)c2C)c(C)c1
InChIInChI=1S/C17H25N3/c1-11-6-7-17(13(3)8-11)20-15(5)16(14(4)19-20)9-12(2)10-18/h6-8,12H,9-10,18H2,1-5H3
InChIKeyZAVJQNDRJCXHGQ-UHFFFAOYSA-N
XLogP3.24
TPSA43.84 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 ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine?
The IUPAC name of 3-[1-(2,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine (CID 79225551) is 3-[1-(2,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 3-[1-(2,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine?
The canonical SMILES for 3-[1-(2,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine is Cc1ccc(-n2nc(C)c(CC(C)CN)c2C)c(C)c1.
What is the InChIKey of 3-[1-(2,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine?
The InChIKey is ZAVJQNDRJCXHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-11-6-7-17(13(3)8-11)20-15(5)16(14(4)19-20)9-12(2)10-18/h6-8,12H,9-10,18H2,1-5H3.
What are the key properties of 3-[1-(2,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine?
3-[1-(2,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 79225551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).