1-[2-(3-methylpyrazol-1-yl)phenyl]propan-1-amine

C13H17N3 — CID 112678344

IUPAC1-[2-(3-methylpyrazol-1-yl)phenyl]propan-1-amine
SMILESCCC(N)c1ccccc1-n1ccc(C)n1
InChIInChI=1S/C13H17N3/c1-3-12(14)11-6-4-5-7-13(11)16-9-8-10(2)15-16/h4-9,12H,3,14H2,1-2H3
InChIKeyJMDMLCWGWBHSFA-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.59
Rot. Bonds3

About 1-[2-(3-methylpyrazol-1-yl)phenyl]propan-1-amine

1-[2-(3-methylpyrazol-1-yl)phenyl]propan-1-amine (PubChem CID 112678344) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-[2-(3-methylpyrazol-1-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name1-[2-(3-methylpyrazol-1-yl)phenyl]propan-1-amine
PubChem CID112678344
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name1-[2-(3-methylpyrazol-1-yl)phenyl]propan-1-amine
SMILESCCC(N)c1ccccc1-n1ccc(C)n1
InChIInChI=1S/C13H17N3/c1-3-12(14)11-6-4-5-7-13(11)16-9-8-10(2)15-16/h4-9,12H,3,14H2,1-2H3
InChIKeyJMDMLCWGWBHSFA-UHFFFAOYSA-N
XLogP2.59
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(1S)-1-aminopropyl]phenyl]pyrazole-3-carboxamide
CID 113358878
1-[2-(1-aminopropyl)phenyl]-N-methylpyrazole-3-carboxamide
CID 112678365
1-[2-(1-aminopropyl)phenyl]-N,N-dimethylpyrazole-3-carboxamide
CID 115995461
(1S)-1-[2-(2-methylimidazol-1-yl)phenyl]propan-1-amine
CID 103959121
(1R)-1-[2-(4,5-dimethylimidazol-1-yl)phenyl]propan-1-amine
CID 103959144
(1S)-1-[2-(2-ethylimidazol-1-yl)phenyl]propan-1-amine
CID 113358871
1-[2-[(1R)-1-aminopropyl]phenyl]pyrazole-4-carboxamide
CID 103959164
(1S)-1-[2-(azepan-1-yl)phenyl]propan-1-amine
CID 103958428
3-methyl-1-(2-pentan-3-yl-5-propylphenyl)pyrazole
CID 126760325
3-methyl-1-[2-(trifluoromethyl)phenyl]pyrazole
CID 141068365
1-[2-(4-ethylpiperazin-1-yl)phenyl]propan-1-amine
CID 112677803
1-[2-(1-aminopropyl)phenyl]imidazole-4,5-dicarbonitrile
CID 112678375

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylpyrazol-1-yl)phenyl]propan-1-amine?
The IUPAC name of 1-[2-(3-methylpyrazol-1-yl)phenyl]propan-1-amine (CID 112678344) is 1-[2-(3-methylpyrazol-1-yl)phenyl]propan-1-amine.
What is the SMILES notation for 1-[2-(3-methylpyrazol-1-yl)phenyl]propan-1-amine?
The canonical SMILES for 1-[2-(3-methylpyrazol-1-yl)phenyl]propan-1-amine is CCC(N)c1ccccc1-n1ccc(C)n1.
What is the InChIKey of 1-[2-(3-methylpyrazol-1-yl)phenyl]propan-1-amine?
The InChIKey is JMDMLCWGWBHSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-3-12(14)11-6-4-5-7-13(11)16-9-8-10(2)15-16/h4-9,12H,3,14H2,1-2H3.
What are the key properties of 1-[2-(3-methylpyrazol-1-yl)phenyl]propan-1-amine?
1-[2-(3-methylpyrazol-1-yl)phenyl]propan-1-amine has a molecular weight of 215.30 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylpyrazol-1-yl)phenyl]propan-1-amine is sourced from PubChem (CID 112678344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).