3-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]-N-ethylpropan-1-amine

C17H25N3 — CID 79218619

IUPAC3-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]-N-ethylpropan-1-amine
SMILESCCNCCCc1c(C)nn(-c2ccccc2C)c1C
InChIInChI=1S/C17H25N3/c1-5-18-12-8-10-16-14(3)19-20(15(16)4)17-11-7-6-9-13(17)2/h6-7,9,11,18H,5,8,10,12H2,1-4H3
InChIKeyFMYMYLPOVZAWDB-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.34
Rot. Bonds6

About 3-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]-N-ethylpropan-1-amine

3-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]-N-ethylpropan-1-amine (PubChem CID 79218619) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 3-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name3-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]-N-ethylpropan-1-amine
PubChem CID79218619
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name3-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]-N-ethylpropan-1-amine
SMILESCCNCCCc1c(C)nn(-c2ccccc2C)c1C
InChIInChI=1S/C17H25N3/c1-5-18-12-8-10-16-14(3)19-20(15(16)4)17-11-7-6-9-13(17)2/h6-7,9,11,18H,5,8,10,12H2,1-4H3
InChIKeyFMYMYLPOVZAWDB-UHFFFAOYSA-N
XLogP3.34
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]-N-ethylpropan-1-amine?
The IUPAC name of 3-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]-N-ethylpropan-1-amine (CID 79218619) is 3-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]-N-ethylpropan-1-amine.
What is the SMILES notation for 3-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]-N-ethylpropan-1-amine?
The canonical SMILES for 3-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]-N-ethylpropan-1-amine is CCNCCCc1c(C)nn(-c2ccccc2C)c1C.
What is the InChIKey of 3-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]-N-ethylpropan-1-amine?
The InChIKey is FMYMYLPOVZAWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-5-18-12-8-10-16-14(3)19-20(15(16)4)17-11-7-6-9-13(17)2/h6-7,9,11,18H,5,8,10,12H2,1-4H3.
What are the key properties of 3-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]-N-ethylpropan-1-amine?
3-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]-N-ethylpropan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]-N-ethylpropan-1-amine is sourced from PubChem (CID 79218619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).