N-[1-(3-ethyl-1-methylpyrazol-5-yl)-2-(3-methylphenyl)ethyl]propan-1-amine

C18H27N3 — CID 105091416

IUPACN-[1-(3-ethyl-1-methylpyrazol-5-yl)-2-(3-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(C)c1)c1cc(CC)nn1C
InChIInChI=1S/C18H27N3/c1-5-10-19-17(12-15-9-7-8-14(3)11-15)18-13-16(6-2)20-21(18)4/h7-9,11,13,17,19H,5-6,10,12H2,1-4H3
InChIKeyHWXLBAIDZYIRAN-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.57
Rot. Bonds7

About N-[1-(3-ethyl-1-methylpyrazol-5-yl)-2-(3-methylphenyl)ethyl]propan-1-amine

N-[1-(3-ethyl-1-methylpyrazol-5-yl)-2-(3-methylphenyl)ethyl]propan-1-amine (PubChem CID 105091416) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-[1-(3-ethyl-1-methylpyrazol-5-yl)-2-(3-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-ethyl-1-methylpyrazol-5-yl)-2-(3-methylphenyl)ethyl]propan-1-amine
PubChem CID105091416
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-[1-(3-ethyl-1-methylpyrazol-5-yl)-2-(3-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(C)c1)c1cc(CC)nn1C
InChIInChI=1S/C18H27N3/c1-5-10-19-17(12-15-9-7-8-14(3)11-15)18-13-16(6-2)20-21(18)4/h7-9,11,13,17,19H,5-6,10,12H2,1-4H3
InChIKeyHWXLBAIDZYIRAN-UHFFFAOYSA-N
XLogP3.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-ethylphenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 60819207
N-[1-(4-chloro-1-methylpyrazol-5-yl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 114648961
N-[2-(3-bromothiophen-2-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethyl]propan-1-amine
CID 105139621
N-[1-(2,6-difluorophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 63526394
N-[1-(3,4-dichlorophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 63414967
N-[1-(4-bromophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 60818106
1-(3-ethyl-1-methylpyrazol-5-yl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 103030885
N-[2-(3,5-dimethylphenyl)-1-(3-methyltriazol-4-yl)ethyl]propan-1-amine
CID 114687519
2-(2,6-dimethylphenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 105174518
N-[1-(2-fluoro-5-methylphenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 63415224
N-[2-(3-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105095880
N-[1-(2-methoxyphenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 60799288

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethyl-1-methylpyrazol-5-yl)-2-(3-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3-ethyl-1-methylpyrazol-5-yl)-2-(3-methylphenyl)ethyl]propan-1-amine (CID 105091416) is N-[1-(3-ethyl-1-methylpyrazol-5-yl)-2-(3-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-ethyl-1-methylpyrazol-5-yl)-2-(3-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-ethyl-1-methylpyrazol-5-yl)-2-(3-methylphenyl)ethyl]propan-1-amine is CCCNC(Cc1cccc(C)c1)c1cc(CC)nn1C.
What is the InChIKey of N-[1-(3-ethyl-1-methylpyrazol-5-yl)-2-(3-methylphenyl)ethyl]propan-1-amine?
The InChIKey is HWXLBAIDZYIRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-5-10-19-17(12-15-9-7-8-14(3)11-15)18-13-16(6-2)20-21(18)4/h7-9,11,13,17,19H,5-6,10,12H2,1-4H3.
What are the key properties of N-[1-(3-ethyl-1-methylpyrazol-5-yl)-2-(3-methylphenyl)ethyl]propan-1-amine?
N-[1-(3-ethyl-1-methylpyrazol-5-yl)-2-(3-methylphenyl)ethyl]propan-1-amine has a molecular weight of 285.44 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethyl-1-methylpyrazol-5-yl)-2-(3-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 105091416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).