N-ethyl-3-(1-ethylpyrazol-4-yl)-2-(3-methylphenyl)propan-1-amine

C17H25N3 — CID 79417186

IUPACN-ethyl-3-(1-ethylpyrazol-4-yl)-2-(3-methylphenyl)propan-1-amine
SMILESCCNCC(Cc1cnn(CC)c1)c1cccc(C)c1
InChIInChI=1S/C17H25N3/c1-4-18-12-17(16-8-6-7-14(3)9-16)10-15-11-19-20(5-2)13-15/h6-9,11,13,17-18H,4-5,10,12H2,1-3H3
InChIKeyDHHDUNMKFQMJHG-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.15
Rot. Bonds7

About N-ethyl-3-(1-ethylpyrazol-4-yl)-2-(3-methylphenyl)propan-1-amine

N-ethyl-3-(1-ethylpyrazol-4-yl)-2-(3-methylphenyl)propan-1-amine (PubChem CID 79417186) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-ethyl-3-(1-ethylpyrazol-4-yl)-2-(3-methylphenyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(1-ethylpyrazol-4-yl)-2-(3-methylphenyl)propan-1-amine
PubChem CID79417186
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-ethyl-3-(1-ethylpyrazol-4-yl)-2-(3-methylphenyl)propan-1-amine
SMILESCCNCC(Cc1cnn(CC)c1)c1cccc(C)c1
InChIInChI=1S/C17H25N3/c1-4-18-12-17(16-8-6-7-14(3)9-16)10-15-11-19-20(5-2)13-15/h6-9,11,13,17-18H,4-5,10,12H2,1-3H3
InChIKeyDHHDUNMKFQMJHG-UHFFFAOYSA-N
XLogP3.15
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dichlorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine
CID 79422312
3-(1-ethylpyrazol-4-yl)-2-(3-methylphenyl)propanoic acid
CID 79436089
3-(3,5-difluorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine
CID 105408371
N-ethyl-2-(3-fluorophenyl)-3-(3-methylphenyl)propan-1-amine
CID 79440444
3-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(3-methylphenyl)propan-1-amine
CID 79417456
(1S)-N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-(3-methylphenyl)ethanamine
CID 81360333
N-ethyl-3-(5-ethylthiophen-2-yl)-2-(3-methylphenyl)propan-1-amine
CID 79417900
N-ethyl-3-(2-fluorophenyl)-2-(3-methylphenyl)propan-1-amine
CID 79417898
N-methyl-2-(3-methylphenyl)-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 103014636
3-(1-ethylpyrazol-4-yl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 62528296
2-(1-ethylpyrazol-4-yl)-1-(3-iodophenyl)ethanamine
CID 115822187
1-(1-ethylpyrazol-4-yl)-4-(3-methylphenoxy)butan-2-ol
CID 105082863

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(1-ethylpyrazol-4-yl)-2-(3-methylphenyl)propan-1-amine?
The IUPAC name of N-ethyl-3-(1-ethylpyrazol-4-yl)-2-(3-methylphenyl)propan-1-amine (CID 79417186) is N-ethyl-3-(1-ethylpyrazol-4-yl)-2-(3-methylphenyl)propan-1-amine.
What is the SMILES notation for N-ethyl-3-(1-ethylpyrazol-4-yl)-2-(3-methylphenyl)propan-1-amine?
The canonical SMILES for N-ethyl-3-(1-ethylpyrazol-4-yl)-2-(3-methylphenyl)propan-1-amine is CCNCC(Cc1cnn(CC)c1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-3-(1-ethylpyrazol-4-yl)-2-(3-methylphenyl)propan-1-amine?
The InChIKey is DHHDUNMKFQMJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-4-18-12-17(16-8-6-7-14(3)9-16)10-15-11-19-20(5-2)13-15/h6-9,11,13,17-18H,4-5,10,12H2,1-3H3.
What are the key properties of N-ethyl-3-(1-ethylpyrazol-4-yl)-2-(3-methylphenyl)propan-1-amine?
N-ethyl-3-(1-ethylpyrazol-4-yl)-2-(3-methylphenyl)propan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(1-ethylpyrazol-4-yl)-2-(3-methylphenyl)propan-1-amine is sourced from PubChem (CID 79417186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).