2-(4-chlorophenyl)-N-ethyl-3-(3-ethyl-1-methylpyrazol-5-yl)propan-1-amine

C17H24ClN3 — CID 79433325

IUPAC2-(4-chlorophenyl)-N-ethyl-3-(3-ethyl-1-methylpyrazol-5-yl)propan-1-amine
SMILESCCNCC(Cc1cc(CC)nn1C)c1ccc(Cl)cc1
InChIInChI=1S/C17H24ClN3/c1-4-16-11-17(21(3)20-16)10-14(12-19-5-2)13-6-8-15(18)9-7-13/h6-9,11,14,19H,4-5,10,12H2,1-3H3
InChIKeyUKTQEZXOAQBWFN-UHFFFAOYSA-N
MW305.85 g/mol
LogP3.57
Rot. Bonds7

About 2-(4-chlorophenyl)-N-ethyl-3-(3-ethyl-1-methylpyrazol-5-yl)propan-1-amine

2-(4-chlorophenyl)-N-ethyl-3-(3-ethyl-1-methylpyrazol-5-yl)propan-1-amine (PubChem CID 79433325) has the molecular formula C17H24ClN3 and a molecular weight of 305.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-ethyl-3-(3-ethyl-1-methylpyrazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-ethyl-3-(3-ethyl-1-methylpyrazol-5-yl)propan-1-amine
PubChem CID79433325
Molecular FormulaC17H24ClN3
Molecular Weight305.85 g/mol
Exact Mass305.17
IUPAC Name2-(4-chlorophenyl)-N-ethyl-3-(3-ethyl-1-methylpyrazol-5-yl)propan-1-amine
SMILESCCNCC(Cc1cc(CC)nn1C)c1ccc(Cl)cc1
InChIInChI=1S/C17H24ClN3/c1-4-16-11-17(21(3)20-16)10-14(12-19-5-2)13-6-8-15(18)9-7-13/h6-9,11,14,19H,4-5,10,12H2,1-3H3
InChIKeyUKTQEZXOAQBWFN-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 ≤ 500305.85
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)-N-methylpropan-1-amine
CID 79443035
N-ethyl-3-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-methylphenyl)propan-1-amine
CID 79423682
2-(2-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)-N-methylpropan-1-amine
CID 79448466
2-(4-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid
CID 79434391
5-[3-bromo-2-(4-methylphenyl)propyl]-3-ethyl-1-methylpyrazole
CID 79437173
2-(4-chlorophenyl)-N-ethyl-3-(5-ethylthiophen-2-yl)propan-1-amine
CID 79441550
5-[3-bromo-2-(4-chlorophenyl)propyl]-1,3-diethylpyrazole
CID 79435546
2-(3-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-1-amine
CID 79443187
3-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(3-methylphenyl)propan-1-amine
CID 79417456
1-(4-chlorophenoxy)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine
CID 105160098
2-(2-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)-N-ethylpropan-1-amine
CID 79449422
2-(4-chlorophenyl)-3-(2,6-difluorophenyl)-N-ethylpropan-1-amine
CID 114933720

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-ethyl-3-(3-ethyl-1-methylpyrazol-5-yl)propan-1-amine?
The IUPAC name of 2-(4-chlorophenyl)-N-ethyl-3-(3-ethyl-1-methylpyrazol-5-yl)propan-1-amine (CID 79433325) is 2-(4-chlorophenyl)-N-ethyl-3-(3-ethyl-1-methylpyrazol-5-yl)propan-1-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-ethyl-3-(3-ethyl-1-methylpyrazol-5-yl)propan-1-amine?
The canonical SMILES for 2-(4-chlorophenyl)-N-ethyl-3-(3-ethyl-1-methylpyrazol-5-yl)propan-1-amine is CCNCC(Cc1cc(CC)nn1C)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-ethyl-3-(3-ethyl-1-methylpyrazol-5-yl)propan-1-amine?
The InChIKey is UKTQEZXOAQBWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3/c1-4-16-11-17(21(3)20-16)10-14(12-19-5-2)13-6-8-15(18)9-7-13/h6-9,11,14,19H,4-5,10,12H2,1-3H3.
What are the key properties of 2-(4-chlorophenyl)-N-ethyl-3-(3-ethyl-1-methylpyrazol-5-yl)propan-1-amine?
2-(4-chlorophenyl)-N-ethyl-3-(3-ethyl-1-methylpyrazol-5-yl)propan-1-amine has a molecular weight of 305.85 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 2-(4-chlorophenyl)-N-ethyl-3-(3-ethyl-1-methylpyrazol-5-yl)propan-1-amine is sourced from PubChem (CID 79433325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).