N-[1-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylphenyl)ethyl]propan-1-amine

C18H27N3 — CID 102803059

IUPACN-[1-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(CC)cc1)c1cn(C)nc1C
InChIInChI=1S/C18H27N3/c1-5-11-19-18(17-13-21(4)20-14(17)3)12-16-9-7-15(6-2)8-10-16/h7-10,13,18-19H,5-6,11-12H2,1-4H3
InChIKeyDXELSCVHOFNVNJ-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.57
Rot. Bonds7

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

N-[1-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylphenyl)ethyl]propan-1-amine (PubChem CID 102803059) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-[1-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylphenyl)ethyl]propan-1-amine
PubChem CID102803059
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-[1-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(CC)cc1)c1cn(C)nc1C
InChIInChI=1S/C18H27N3/c1-5-11-19-18(17-13-21(4)20-14(17)3)12-16-9-7-15(6-2)8-10-16/h7-10,13,18-19H,5-6,11-12H2,1-4H3
InChIKeyDXELSCVHOFNVNJ-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-[2-(3-bromo-4-fluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 102803108
N-[2-(2,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 102803077
N-[2-(2,6-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 102804658
N-[1-(1,3-dimethylpyrazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine
CID 102803943
1-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylphenyl)ethanol
CID 83091670
N-[1-(1,3-dimethylpyrazol-4-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107065029
N-[2-(2,3-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 102803334
1-(1,3-dimethylpyrazol-4-yl)-3-methyl-N-propylpentan-1-amine
CID 102803357
N-[2-(4-ethylphenyl)-1-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 65200711
1-(1,3-dimethylpyrazol-4-yl)-5-methyl-N-propylhexan-1-amine
CID 102804362
1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 102803029
1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 102803003

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylphenyl)ethyl]propan-1-amine (CID 102803059) is N-[1-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylphenyl)ethyl]propan-1-amine is CCCNC(Cc1ccc(CC)cc1)c1cn(C)nc1C.
What is the InChIKey of N-[1-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylphenyl)ethyl]propan-1-amine?
The InChIKey is DXELSCVHOFNVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-5-11-19-18(17-13-21(4)20-14(17)3)12-16-9-7-15(6-2)8-10-16/h7-10,13,18-19H,5-6,11-12H2,1-4H3.
What are the key properties of N-[1-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylphenyl)ethyl]propan-1-amine?
N-[1-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylphenyl)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-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 102803059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).