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

C20H22FN3 — CID 83986428

IUPAC2-(3,4-dimethylphenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine
SMILESCc1ccc(C(CN)c2cc(-c3ccc(F)cc3)nn2C)cc1C
InChIInChI=1S/C20H22FN3/c1-13-4-5-16(10-14(13)2)18(12-22)20-11-19(23-24(20)3)15-6-8-17(21)9-7-15/h4-11,18H,12,22H2,1-3H3
InChIKeyWABSLTLBGITZFH-UHFFFAOYSA-N
MW323.42 g/mol
LogP3.93
Rot. Bonds4

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

2-(3,4-dimethylphenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine (PubChem CID 83986428) has the molecular formula C20H22FN3 and a molecular weight of 323.42 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine
PubChem CID83986428
Molecular FormulaC20H22FN3
Molecular Weight323.42 g/mol
Exact Mass323.18
IUPAC Name2-(3,4-dimethylphenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine
SMILESCc1ccc(C(CN)c2cc(-c3ccc(F)cc3)nn2C)cc1C
InChIInChI=1S/C20H22FN3/c1-13-4-5-16(10-14(13)2)18(12-22)20-11-19(23-24(20)3)15-6-8-17(21)9-7-15/h4-11,18H,12,22H2,1-3H3
InChIKeyWABSLTLBGITZFH-UHFFFAOYSA-N
XLogP3.93
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine
CID 83987350
2-(4-ethylphenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine
CID 83986500
2-(4-methoxy-3-methylphenyl)-2-(1-methyl-3-phenylpyrazol-5-yl)ethanamine
CID 83986832
2-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
CID 82023265
2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-2-pyridin-2-ylethanamine
CID 83987390
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-3-phenylpyrazol-5-yl)ethanamine
CID 83986790
2-(3,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine
CID 83986425
2-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3,4-difluorophenyl)ethanamine
CID 83986713
4-[2-amino-1-(2,5-dimethylpyrazol-3-yl)ethyl]phenol
CID 83987249
2-(3,4-dimethylphenyl)sulfanyl-2-(4-fluorophenyl)ethanamine
CID 55014937
6-(4-fluorophenyl)-2-methyl-4-(propylaminomethyl)pyridazin-3-one
CID 82444010
4-[amino(phenyl)methyl]-6-(4-fluorophenyl)-2-methylpyridazin-3-one
CID 82444027

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine?
The IUPAC name of 2-(3,4-dimethylphenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine (CID 83986428) is 2-(3,4-dimethylphenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine?
The canonical SMILES for 2-(3,4-dimethylphenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine is Cc1ccc(C(CN)c2cc(-c3ccc(F)cc3)nn2C)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine?
The InChIKey is WABSLTLBGITZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3/c1-13-4-5-16(10-14(13)2)18(12-22)20-11-19(23-24(20)3)15-6-8-17(21)9-7-15/h4-11,18H,12,22H2,1-3H3.
What are the key properties of 2-(3,4-dimethylphenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine?
2-(3,4-dimethylphenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine has a molecular weight of 323.42 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-2-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanamine is sourced from PubChem (CID 83986428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).