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

C17H25N3 — CID 79417456

IUPAC3-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(3-methylphenyl)propan-1-amine
SMILESCCNCC(Cc1cc(C)nn1C)c1cccc(C)c1
InChIInChI=1S/C17H25N3/c1-5-18-12-16(15-8-6-7-13(2)9-15)11-17-10-14(3)19-20(17)4/h6-10,16,18H,5,11-12H2,1-4H3
InChIKeyNXJQPAHUYHVVQI-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.97
Rot. Bonds6

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

3-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(3-methylphenyl)propan-1-amine (PubChem CID 79417456) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 3-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(3-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(3-methylphenyl)propan-1-amine
PubChem CID79417456
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name3-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(3-methylphenyl)propan-1-amine
SMILESCCNCC(Cc1cc(C)nn1C)c1cccc(C)c1
InChIInChI=1S/C17H25N3/c1-5-18-12-16(15-8-6-7-13(2)9-15)11-17-10-14(3)19-20(17)4/h6-10,16,18H,5,11-12H2,1-4H3
InChIKeyNXJQPAHUYHVVQI-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)-N-ethylpropan-1-amine
CID 79449422
N-ethyl-3-(2-fluorophenyl)-2-(3-methylphenyl)propan-1-amine
CID 79417898
N-ethyl-3-(5-ethylthiophen-2-yl)-2-(3-methylphenyl)propan-1-amine
CID 79417900
3-(3,4-dichlorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine
CID 79422312
3-(3,5-difluorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine
CID 105408371
1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-(3-methylphenyl)butan-2-amine
CID 105158723
N-ethyl-3-(1-ethylpyrazol-4-yl)-2-(3-methylphenyl)propan-1-amine
CID 79417186
N-ethyl-2-(3-fluorophenyl)-3-(3-methylphenyl)propan-1-amine
CID 79440444
2-(4-chlorophenyl)-N-ethyl-3-(3-ethyl-1-methylpyrazol-5-yl)propan-1-amine
CID 79433325
3-(2-bromo-5-fluorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine
CID 79422309
N-ethyl-3-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-methylphenyl)propan-1-amine
CID 79423682
2-(3-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)-N-methylpropan-1-amine
CID 79443035

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(3-methylphenyl)propan-1-amine?
The IUPAC name of 3-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(3-methylphenyl)propan-1-amine (CID 79417456) is 3-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(3-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(3-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(3-methylphenyl)propan-1-amine is CCNCC(Cc1cc(C)nn1C)c1cccc(C)c1.
What is the InChIKey of 3-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(3-methylphenyl)propan-1-amine?
The InChIKey is NXJQPAHUYHVVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-5-18-12-16(15-8-6-7-13(2)9-15)11-17-10-14(3)19-20(17)4/h6-10,16,18H,5,11-12H2,1-4H3.
What are the key properties of 3-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(3-methylphenyl)propan-1-amine?
3-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(3-methylphenyl)propan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(3-methylphenyl)propan-1-amine is sourced from PubChem (CID 79417456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).