2-(5-chloro-2-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanamine

C13H15ClFN3 — CID 114220113

IUPAC2-(5-chloro-2-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanamine
SMILESCc1cc(C(N)Cc2cc(Cl)ccc2F)nn1C
InChIInChI=1S/C13H15ClFN3/c1-8-5-13(17-18(8)2)12(16)7-9-6-10(14)3-4-11(9)15/h3-6,12H,7,16H2,1-2H3
InChIKeyHDPFSKYCSPJIOL-UHFFFAOYSA-N
MW267.74 g/mol
LogP2.76
Rot. Bonds3

About 2-(5-chloro-2-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanamine

2-(5-chloro-2-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanamine (PubChem CID 114220113) has the molecular formula C13H15ClFN3 and a molecular weight of 267.74 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanamine
PubChem CID114220113
Molecular FormulaC13H15ClFN3
Molecular Weight267.74 g/mol
Exact Mass267.09
IUPAC Name2-(5-chloro-2-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanamine
SMILESCc1cc(C(N)Cc2cc(Cl)ccc2F)nn1C
InChIInChI=1S/C13H15ClFN3/c1-8-5-13(17-18(8)2)12(16)7-9-6-10(14)3-4-11(9)15/h3-6,12H,7,16H2,1-2H3
InChIKeyHDPFSKYCSPJIOL-UHFFFAOYSA-N
XLogP2.76
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-fluorophenyl)-1-(6-methyl-2-pyridinyl)ethanamine
CID 103048658
2-(5-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 103053134
2-(5-chloro-2-fluorophenyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 114033839
2-(5-chloro-2-fluorophenyl)-1-(3-chloro-5-methylphenyl)ethanamine
CID 103052955
2-(2,5-difluorophenyl)-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200827
2-(2-fluorophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanamine
CID 114255324
1-(1,5-dimethylpyrazol-3-yl)butan-1-amine
CID 82413587
(2,5-difluorophenyl)-(1,5-dimethylpyrazol-3-yl)methanamine
CID 114219213
2-(3-bromophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanamine
CID 114219129
2-(2-chloro-5-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol
CID 114220171
2-(4-chloro-2-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine
CID 105190505
1-(2-bromo-3-methylphenyl)-2-(5-chloro-2-fluorophenyl)ethanamine
CID 107985554

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanamine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanamine (CID 114220113) is 2-(5-chloro-2-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanamine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanamine is Cc1cc(C(N)Cc2cc(Cl)ccc2F)nn1C.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanamine?
The InChIKey is HDPFSKYCSPJIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3/c1-8-5-13(17-18(8)2)12(16)7-9-6-10(14)3-4-11(9)15/h3-6,12H,7,16H2,1-2H3.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanamine?
2-(5-chloro-2-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanamine has a molecular weight of 267.74 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 114220113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).