2-(4-chloro-3-fluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-ethylethanamine

C15H19ClFN3 — CID 107892213

IUPAC2-(4-chloro-3-fluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Cl)c(F)c1)c1cnn(C)c1C
InChIInChI=1S/C15H19ClFN3/c1-4-18-15(12-9-19-20(3)10(12)2)8-11-5-6-13(16)14(17)7-11/h5-7,9,15,18H,4,8H2,1-3H3
InChIKeyZCKHUWVMIRENBX-UHFFFAOYSA-N
MW295.79 g/mol
LogP3.41
Rot. Bonds5

About 2-(4-chloro-3-fluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-ethylethanamine

2-(4-chloro-3-fluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-ethylethanamine (PubChem CID 107892213) has the molecular formula C15H19ClFN3 and a molecular weight of 295.79 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-ethylethanamine
PubChem CID107892213
Molecular FormulaC15H19ClFN3
Molecular Weight295.79 g/mol
Exact Mass295.13
IUPAC Name2-(4-chloro-3-fluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Cl)c(F)c1)c1cnn(C)c1C
InChIInChI=1S/C15H19ClFN3/c1-4-18-15(12-9-19-20(3)10(12)2)8-11-5-6-13(16)14(17)7-11/h5-7,9,15,18H,4,8H2,1-3H3
InChIKeyZCKHUWVMIRENBX-UHFFFAOYSA-N
XLogP3.41
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 105095999
2-(3,4-dichlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylethanamine
CID 105136491
2-(4-chloro-3-fluorophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine
CID 107891773
N-[2-(4-chlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105085259
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine
CID 107885107
N-[2-(3-bromo-4-fluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105111304
1-(3-chloro-2-fluorophenyl)-2-(4-chloro-3-fluorophenyl)-N-ethylethanamine
CID 107884748
2-(4-chloro-3-fluorophenyl)-1-(4-chloro-3-methylphenyl)-N-ethylethanamine
CID 107892116
2-(4-chloro-3-fluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 107891438
1-(2-chloro-4-methylphenyl)-2-(3,4-difluorophenyl)-N-ethylethanamine
CID 106858425
2-(3,4-dichlorophenyl)-1-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine
CID 105136476
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(furan-2-yl)ethanamine
CID 107884660

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-ethylethanamine?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-ethylethanamine (CID 107892213) is 2-(4-chloro-3-fluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-ethylethanamine?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-ethylethanamine is CCNC(Cc1ccc(Cl)c(F)c1)c1cnn(C)c1C.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-ethylethanamine?
The InChIKey is ZCKHUWVMIRENBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN3/c1-4-18-15(12-9-19-20(3)10(12)2)8-11-5-6-13(16)14(17)7-11/h5-7,9,15,18H,4,8H2,1-3H3.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-ethylethanamine?
2-(4-chloro-3-fluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-ethylethanamine has a molecular weight of 295.79 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-ethylethanamine is sourced from PubChem (CID 107892213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).