3-(3,5-dimethylpyrazol-1-yl)-N-(2-phenylethyl)propan-1-amine

C16H23N3 — CID 115572658

IUPAC3-(3,5-dimethylpyrazol-1-yl)-N-(2-phenylethyl)propan-1-amine
SMILESCc1cc(C)n(CCCNCCc2ccccc2)n1
InChIInChI=1S/C16H23N3/c1-14-13-15(2)19(18-14)12-6-10-17-11-9-16-7-4-3-5-8-16/h3-5,7-8,13,17H,6,9-12H2,1-2H3
InChIKeyDTKGWLZLTJHXFX-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.72
Rot. Bonds7

About 3-(3,5-dimethylpyrazol-1-yl)-N-(2-phenylethyl)propan-1-amine

3-(3,5-dimethylpyrazol-1-yl)-N-(2-phenylethyl)propan-1-amine (PubChem CID 115572658) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-N-(2-phenylethyl)propan-1-amine.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-N-(2-phenylethyl)propan-1-amine
PubChem CID115572658
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-N-(2-phenylethyl)propan-1-amine
SMILESCc1cc(C)n(CCCNCCc2ccccc2)n1
InChIInChI=1S/C16H23N3/c1-14-13-15(2)19(18-14)12-6-10-17-11-9-16-7-4-3-5-8-16/h3-5,7-8,13,17H,6,9-12H2,1-2H3
InChIKeyDTKGWLZLTJHXFX-UHFFFAOYSA-N
XLogP2.72
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.72
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

3-(3,5-dimethylpyrazol-1-yl)-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 115571467
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methyl-3-(2-phenylethyl)guanidine;hydroiodide
CID 111135944
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]octan-1-amine
CID 115573303
2-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-ethyl-3-(2-phenylethyl)guanidine
CID 111134993
3-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine
CID 114536437
3-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)propan-1-amine
CID 115572659
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pent-4-en-1-amine
CID 114536472
3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propanenitrile
CID 115571469
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-phenylpropanamide
CID 35761342
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pent-3-yn-1-amine
CID 114536533
N-[(6-chloro-3-pyridinyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
CID 78840554
3-(3,5-dimethylpyrazol-1-yl)-N-[(2-methoxyphenyl)methyl]propan-1-amine
CID 78804066

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-(2-phenylethyl)propan-1-amine?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-(2-phenylethyl)propan-1-amine (CID 115572658) is 3-(3,5-dimethylpyrazol-1-yl)-N-(2-phenylethyl)propan-1-amine.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-N-(2-phenylethyl)propan-1-amine?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-N-(2-phenylethyl)propan-1-amine is Cc1cc(C)n(CCCNCCc2ccccc2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-N-(2-phenylethyl)propan-1-amine?
The InChIKey is DTKGWLZLTJHXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-14-13-15(2)19(18-14)12-6-10-17-11-9-16-7-4-3-5-8-16/h3-5,7-8,13,17H,6,9-12H2,1-2H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-N-(2-phenylethyl)propan-1-amine?
3-(3,5-dimethylpyrazol-1-yl)-N-(2-phenylethyl)propan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-N-(2-phenylethyl)propan-1-amine is sourced from PubChem (CID 115572658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).