2-(3-fluorophenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine

C18H17F2N3 — CID 83987350

IUPAC2-(3-fluorophenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine
SMILESCn1nc(-c2ccc(F)cc2)cc1C(CN)c1cccc(F)c1
InChIInChI=1S/C18H17F2N3/c1-23-18(16(11-21)13-3-2-4-15(20)9-13)10-17(22-23)12-5-7-14(19)8-6-12/h2-10,16H,11,21H2,1H3
InChIKeyKOJHLQWRLLGCCK-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.46
Rot. Bonds4

About 2-(3-fluorophenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine

2-(3-fluorophenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine (PubChem CID 83987350) has the molecular formula C18H17F2N3 and a molecular weight of 313.35 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine
PubChem CID83987350
Molecular FormulaC18H17F2N3
Molecular Weight313.35 g/mol
Exact Mass313.14
IUPAC Name2-(3-fluorophenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine
SMILESCn1nc(-c2ccc(F)cc2)cc1C(CN)c1cccc(F)c1
InChIInChI=1S/C18H17F2N3/c1-23-18(16(11-21)13-3-2-4-15(20)9-13)10-17(22-23)12-5-7-14(19)8-6-12/h2-10,16H,11,21H2,1H3
InChIKeyKOJHLQWRLLGCCK-UHFFFAOYSA-N
XLogP3.46
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylphenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine
CID 83986500
2-(3,4-dimethylphenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine
CID 83986428
2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-2-pyridin-2-ylethanamine
CID 83987390
2-(4-methoxy-3-methylphenyl)-2-(1-methyl-3-phenylpyrazol-5-yl)ethanamine
CID 83986832
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-3-phenylpyrazol-5-yl)ethanamine
CID 83986790
4-[amino(phenyl)methyl]-6-(4-fluorophenyl)-2-methylpyridazin-3-one
CID 82444027
6-(4-fluorophenyl)-2-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]pyridazin-3-one
CID 94813590
2-(2,5-dimethylpyrazol-3-yl)-2-(3-phenoxyphenyl)ethanamine
CID 83986622
2-(4,5-dimethylimidazol-1-yl)-2-(3-fluorophenyl)ethanamine
CID 55064925
1-methyl-5-propan-2-yl-3-(3-propan-2-ylphenyl)pyrazole
CID 166536436
1-[3-[5-[2-(4-fluorophenyl)ethyl]-1-methylpyrazol-3-yl]phenyl]ethanamine
CID 69426777
(3-fluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol
CID 105078402

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine?
The IUPAC name of 2-(3-fluorophenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine (CID 83987350) is 2-(3-fluorophenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine.
What is the SMILES notation for 2-(3-fluorophenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine?
The canonical SMILES for 2-(3-fluorophenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine is Cn1nc(-c2ccc(F)cc2)cc1C(CN)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine?
The InChIKey is KOJHLQWRLLGCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3/c1-23-18(16(11-21)13-3-2-4-15(20)9-13)10-17(22-23)12-5-7-14(19)8-6-12/h2-10,16H,11,21H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine?
2-(3-fluorophenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine has a molecular weight of 313.35 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine is sourced from PubChem (CID 83987350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).