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

C14H17ClFN3 — CID 105190505

IUPAC2-(4-chloro-2-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine
SMILESCNC(Cc1ccc(Cl)cc1F)c1cc(C)nn1C
InChIInChI=1S/C14H17ClFN3/c1-9-6-14(19(3)18-9)13(17-2)7-10-4-5-11(15)8-12(10)16/h4-6,8,13,17H,7H2,1-3H3
InChIKeyNIZGPDVKGNKQMU-UHFFFAOYSA-N
MW281.76 g/mol
LogP3.02
Rot. Bonds4

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

2-(4-chloro-2-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine (PubChem CID 105190505) has the molecular formula C14H17ClFN3 and a molecular weight of 281.76 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine
PubChem CID105190505
Molecular FormulaC14H17ClFN3
Molecular Weight281.76 g/mol
Exact Mass281.11
IUPAC Name2-(4-chloro-2-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine
SMILESCNC(Cc1ccc(Cl)cc1F)c1cc(C)nn1C
InChIInChI=1S/C14H17ClFN3/c1-9-6-14(19(3)18-9)13(17-2)7-10-4-5-11(15)8-12(10)16/h4-6,8,13,17H,7H2,1-3H3
InChIKeyNIZGPDVKGNKQMU-UHFFFAOYSA-N
XLogP3.02
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chloro-2-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine
CID 105190484
2-(4-chloro-2-fluorophenyl)-1-(2,6-dimethyl-4-pyridinyl)-N-methylethanamine
CID 107503685
1-(5-chloro-2-fluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine
CID 114886219
2-(2,4-difluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 105117177
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine
CID 105180408
2-(4-chloro-2-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 114855348
2-(4-chloro-2-fluorophenyl)-N-methyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105190365
2-(4-chloro-2-fluorophenyl)-N-methyl-1-(4-methyl-3-pyridinyl)ethanamine
CID 114878077
1-(4-chloro-2-fluorophenyl)-2-(2,4-difluorophenyl)-N-methylethanamine
CID 63081771
1-(2,5-dimethylpyrazol-3-yl)-N,3-dimethylbutan-1-amine
CID 112709780
2-(4-chloro-2-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylethanamine
CID 105055308
2-(4-chloro-2-fluorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
CID 105190509

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine (CID 105190505) is 2-(4-chloro-2-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine is CNC(Cc1ccc(Cl)cc1F)c1cc(C)nn1C.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine?
The InChIKey is NIZGPDVKGNKQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN3/c1-9-6-14(19(3)18-9)13(17-2)7-10-4-5-11(15)8-12(10)16/h4-6,8,13,17H,7H2,1-3H3.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine?
2-(4-chloro-2-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine has a molecular weight of 281.76 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine is sourced from PubChem (CID 105190505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).