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

C19H20FN3 — CID 82072157

IUPAC2-[1-(2,5-dimethylphenyl)-5-(4-fluorophenyl)pyrazol-3-yl]ethanamine
SMILESCc1ccc(C)c(-n2nc(CCN)cc2-c2ccc(F)cc2)c1
InChIInChI=1S/C19H20FN3/c1-13-3-4-14(2)18(11-13)23-19(12-17(22-23)9-10-21)15-5-7-16(20)8-6-15/h3-8,11-12H,9-10,21H2,1-2H3
InChIKeyGMSKLVCOMNEGAK-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.80
Rot. Bonds4

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

2-[1-(2,5-dimethylphenyl)-5-(4-fluorophenyl)pyrazol-3-yl]ethanamine (PubChem CID 82072157) has the molecular formula C19H20FN3 and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-[1-(2,5-dimethylphenyl)-5-(4-fluorophenyl)pyrazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(2,5-dimethylphenyl)-5-(4-fluorophenyl)pyrazol-3-yl]ethanamine
PubChem CID82072157
Molecular FormulaC19H20FN3
Molecular Weight309.39 g/mol
Exact Mass309.16
IUPAC Name2-[1-(2,5-dimethylphenyl)-5-(4-fluorophenyl)pyrazol-3-yl]ethanamine
SMILESCc1ccc(C)c(-n2nc(CCN)cc2-c2ccc(F)cc2)c1
InChIInChI=1S/C19H20FN3/c1-13-3-4-14(2)18(11-13)23-19(12-17(22-23)9-10-21)15-5-7-16(20)8-6-15/h3-8,11-12H,9-10,21H2,1-2H3
InChIKeyGMSKLVCOMNEGAK-UHFFFAOYSA-N
XLogP3.80
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(4-fluorophenyl)-1-(2-methylphenyl)pyrazol-3-yl]methanamine
CID 82072215
2-[1-(5-chloro-2-methylphenyl)-5-pyridin-3-ylpyrazol-3-yl]ethanamine
CID 82072788
[1-(4-chloro-2-methylphenyl)-5-(4-methylphenyl)pyrazol-3-yl]methanamine
CID 82072108
2-[5-(4-fluoro-3-methylphenyl)-1-methylpyrazol-3-yl]ethanamine
CID 82129028
2-[1-(3,4-dimethylphenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]ethanamine
CID 82071889
[1-(2,5-dimethylphenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine
CID 82072992
2-[1-benzyl-5-(4-methylphenyl)pyrazol-3-yl]ethanamine
CID 82072030
2-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-3-yl]ethanamine
CID 82086518
[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanamine
CID 82072614
2-[5-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]ethanamine
CID 82072636
[1-(4-ethoxyphenyl)-5-(4-fluorophenyl)pyrazol-3-yl]methanamine
CID 82072208
2-[5-(2,5-difluorophenyl)-1-methylpyrazol-3-yl]ethanamine
CID 82476618

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dimethylphenyl)-5-(4-fluorophenyl)pyrazol-3-yl]ethanamine?
The IUPAC name of 2-[1-(2,5-dimethylphenyl)-5-(4-fluorophenyl)pyrazol-3-yl]ethanamine (CID 82072157) is 2-[1-(2,5-dimethylphenyl)-5-(4-fluorophenyl)pyrazol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(2,5-dimethylphenyl)-5-(4-fluorophenyl)pyrazol-3-yl]ethanamine?
The canonical SMILES for 2-[1-(2,5-dimethylphenyl)-5-(4-fluorophenyl)pyrazol-3-yl]ethanamine is Cc1ccc(C)c(-n2nc(CCN)cc2-c2ccc(F)cc2)c1.
What is the InChIKey of 2-[1-(2,5-dimethylphenyl)-5-(4-fluorophenyl)pyrazol-3-yl]ethanamine?
The InChIKey is GMSKLVCOMNEGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3/c1-13-3-4-14(2)18(11-13)23-19(12-17(22-23)9-10-21)15-5-7-16(20)8-6-15/h3-8,11-12H,9-10,21H2,1-2H3.
What are the key properties of 2-[1-(2,5-dimethylphenyl)-5-(4-fluorophenyl)pyrazol-3-yl]ethanamine?
2-[1-(2,5-dimethylphenyl)-5-(4-fluorophenyl)pyrazol-3-yl]ethanamine has a molecular weight of 309.39 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dimethylphenyl)-5-(4-fluorophenyl)pyrazol-3-yl]ethanamine is sourced from PubChem (CID 82072157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).