2-(3-methylphenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine

C14H19N3 — CID 82870488

IUPAC2-(3-methylphenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine
SMILESCc1cccc(C(CN)Cc2ccn(C)n2)c1
InChIInChI=1S/C14H19N3/c1-11-4-3-5-12(8-11)13(10-15)9-14-6-7-17(2)16-14/h3-8,13H,9-10,15H2,1-2H3
InChIKeyDKZOLQKXKAZLJK-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.01
Rot. Bonds4

About 2-(3-methylphenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine

2-(3-methylphenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine (PubChem CID 82870488) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-(3-methylphenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-(3-methylphenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine
PubChem CID82870488
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2-(3-methylphenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine
SMILESCc1cccc(C(CN)Cc2ccn(C)n2)c1
InChIInChI=1S/C14H19N3/c1-11-4-3-5-12(8-11)13(10-15)9-14-6-7-17(2)16-14/h3-8,13H,9-10,15H2,1-2H3
InChIKeyDKZOLQKXKAZLJK-UHFFFAOYSA-N
XLogP2.01
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-(3-methylphenyl)propan-1-amine
CID 79416832
2-(2-chlorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82872011
2-(3-fluorophenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 79441071
3-(2,6-difluorophenyl)-2-(3-methylphenyl)propan-1-amine
CID 114933703
(2S)-3-amino-2-(3-methylphenyl)propan-1-ol
CID 86327369
3-amino-2-(3-methylphenyl)propan-1-ol
CID 46911824
3-(4-iodophenyl)-2-(3-methylphenyl)propan-1-amine
CID 79417014
2-phenyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 65431517
2-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-N-propan-2-ylpropan-1-amine
CID 82870491
N-ethyl-2-(3-fluorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82871673
2-fluoro-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 112562653
N-[2-(3-bromophenyl)-3-(1-methylpyrazol-3-yl)propyl]-2-methylpropan-2-amine
CID 82870237

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine?
The IUPAC name of 2-(3-methylphenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine (CID 82870488) is 2-(3-methylphenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for 2-(3-methylphenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for 2-(3-methylphenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine is Cc1cccc(C(CN)Cc2ccn(C)n2)c1.
What is the InChIKey of 2-(3-methylphenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine?
The InChIKey is DKZOLQKXKAZLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-11-4-3-5-12(8-11)13(10-15)9-14-6-7-17(2)16-14/h3-8,13H,9-10,15H2,1-2H3.
What are the key properties of 2-(3-methylphenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine?
2-(3-methylphenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine has a molecular weight of 229.33 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 82870488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).