3-[1-(3,5-dimethylphenyl)pyrazol-4-yl]-N-methylpropan-1-amine

C15H21N3 — CID 55111544

IUPAC3-[1-(3,5-dimethylphenyl)pyrazol-4-yl]-N-methylpropan-1-amine
SMILESCNCCCc1cnn(-c2cc(C)cc(C)c2)c1
InChIInChI=1S/C15H21N3/c1-12-7-13(2)9-15(8-12)18-11-14(10-17-18)5-4-6-16-3/h7-11,16H,4-6H2,1-3H3
InChIKeyKQGHEMZPJQAYMX-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.64
Rot. Bonds5

About 3-[1-(3,5-dimethylphenyl)pyrazol-4-yl]-N-methylpropan-1-amine

3-[1-(3,5-dimethylphenyl)pyrazol-4-yl]-N-methylpropan-1-amine (PubChem CID 55111544) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-[1-(3,5-dimethylphenyl)pyrazol-4-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[1-(3,5-dimethylphenyl)pyrazol-4-yl]-N-methylpropan-1-amine
PubChem CID55111544
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name3-[1-(3,5-dimethylphenyl)pyrazol-4-yl]-N-methylpropan-1-amine
SMILESCNCCCc1cnn(-c2cc(C)cc(C)c2)c1
InChIInChI=1S/C15H21N3/c1-12-7-13(2)9-15(8-12)18-11-14(10-17-18)5-4-6-16-3/h7-11,16H,4-6H2,1-3H3
InChIKeyKQGHEMZPJQAYMX-UHFFFAOYSA-N
XLogP2.64
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.64
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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Related Compounds

N-methyl-3-[1-(4-nitrophenyl)pyrazol-4-yl]propan-1-amine
CID 62718939
3-(3,5-dimethylphenyl)-N-methylpropan-1-amine
CID 54776136
3-[1-(4-methylphenyl)pyrazol-4-yl]-N-propylpropan-1-amine
CID 62718617
N-methyl-3-(1-propan-2-ylpyrazol-4-yl)propan-1-amine;hydrochloride
CID 122240417
N-methyl-3-[1-(3-methylphenyl)pyrazol-4-yl]oxypropan-1-amine
CID 117230384
N-[3-(methylamino)propyl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride
CID 119430045
N-[3-[1-(3-bromophenyl)pyrazol-4-yl]propyl]-2-methylpropan-2-amine
CID 62719146
3-[1-(3-bromophenyl)pyrazol-4-yl]-N-propylpropan-1-amine
CID 62719469
3-[1-(2,5-dimethylphenyl)pyrazol-4-yl]propan-1-amine
CID 62718594
N-methyl-3-[1-(oxan-4-yl)pyrazol-4-yl]propan-1-amine
CID 105481100
4-[4-[3-(tert-butylamino)propyl]pyrazol-1-yl]benzonitrile
CID 62719123
3-[1-(3-chlorophenyl)pyrazol-4-yl]-N-(2-methoxyethyl)propan-1-amine
CID 62719108

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,5-dimethylphenyl)pyrazol-4-yl]-N-methylpropan-1-amine?
The IUPAC name of 3-[1-(3,5-dimethylphenyl)pyrazol-4-yl]-N-methylpropan-1-amine (CID 55111544) is 3-[1-(3,5-dimethylphenyl)pyrazol-4-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[1-(3,5-dimethylphenyl)pyrazol-4-yl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[1-(3,5-dimethylphenyl)pyrazol-4-yl]-N-methylpropan-1-amine is CNCCCc1cnn(-c2cc(C)cc(C)c2)c1.
What is the InChIKey of 3-[1-(3,5-dimethylphenyl)pyrazol-4-yl]-N-methylpropan-1-amine?
The InChIKey is KQGHEMZPJQAYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-12-7-13(2)9-15(8-12)18-11-14(10-17-18)5-4-6-16-3/h7-11,16H,4-6H2,1-3H3.
What are the key properties of 3-[1-(3,5-dimethylphenyl)pyrazol-4-yl]-N-methylpropan-1-amine?
3-[1-(3,5-dimethylphenyl)pyrazol-4-yl]-N-methylpropan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,5-dimethylphenyl)pyrazol-4-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 55111544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).