N-[2-(3,4-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine

C17H25N3 — CID 63963538

IUPACN-[2-(3,4-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(C)c(C)c1)c1ccnn1C
InChIInChI=1S/C17H25N3/c1-5-9-18-16(17-8-10-19-20(17)4)12-15-7-6-13(2)14(3)11-15/h6-8,10-11,16,18H,5,9,12H2,1-4H3
InChIKeyBDCFRGHWCRSXBH-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.32
Rot. Bonds6

About N-[2-(3,4-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine

N-[2-(3,4-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine (PubChem CID 63963538) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-[2-(3,4-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
PubChem CID63963538
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-[2-(3,4-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(C)c(C)c1)c1ccnn1C
InChIInChI=1S/C17H25N3/c1-5-9-18-16(17-8-10-19-20(17)4)12-15-7-6-13(2)14(3)11-15/h6-8,10-11,16,18H,5,9,12H2,1-4H3
InChIKeyBDCFRGHWCRSXBH-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethylphenyl)-N-ethyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 63963537
N-[1-(2-methylpyrazol-3-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 63960985
N-[2-(5-fluoro-2-methylphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 105377437
N-[1-(2-methylpyrazol-3-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 105137661
N-[2-(3,4-dimethylphenyl)-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 62902240
1-(2-methylpyrazol-3-yl)-N-propylpentan-1-amine
CID 79411759
N-[1-(2-methylpyrazol-3-yl)-2-methylsulfanylethyl]propan-1-amine
CID 63962229
N-[2-(4-methylphenyl)-1-(2-propylpyrazol-3-yl)ethyl]propan-1-amine
CID 63976175
N-[2-(2,6-dichlorophenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 63963522
1-(2-methylpyrazol-3-yl)-N-propyloctan-1-amine
CID 115858544
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanamine
CID 105121981
N-[2-tert-butylsulfanyl-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 65132859

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3,4-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine (CID 63963538) is N-[2-(3,4-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3,4-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3,4-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(C)c(C)c1)c1ccnn1C.
What is the InChIKey of N-[2-(3,4-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine?
The InChIKey is BDCFRGHWCRSXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-5-9-18-16(17-8-10-19-20(17)4)12-15-7-6-13(2)14(3)11-15/h6-8,10-11,16,18H,5,9,12H2,1-4H3.
What are the key properties of N-[2-(3,4-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine?
N-[2-(3,4-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 63963538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).