[1-(4-ethoxyphenyl)-5-(4-fluorophenyl)pyrazol-3-yl]methanamine

C18H18FN3O — CID 82072208

IUPAC[1-(4-ethoxyphenyl)-5-(4-fluorophenyl)pyrazol-3-yl]methanamine
SMILESCCOc1ccc(-n2nc(CN)cc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H18FN3O/c1-2-23-17-9-7-16(8-10-17)22-18(11-15(12-20)21-22)13-3-5-14(19)6-4-13/h3-11H,2,12,20H2,1H3
InChIKeyHSBACHPQMUSCSJ-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.54
Rot. Bonds5

About [1-(4-ethoxyphenyl)-5-(4-fluorophenyl)pyrazol-3-yl]methanamine

[1-(4-ethoxyphenyl)-5-(4-fluorophenyl)pyrazol-3-yl]methanamine (PubChem CID 82072208) has the molecular formula C18H18FN3O and a molecular weight of 311.36 g/mol. Its IUPAC name is [1-(4-ethoxyphenyl)-5-(4-fluorophenyl)pyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(4-ethoxyphenyl)-5-(4-fluorophenyl)pyrazol-3-yl]methanamine
PubChem CID82072208
Molecular FormulaC18H18FN3O
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC Name[1-(4-ethoxyphenyl)-5-(4-fluorophenyl)pyrazol-3-yl]methanamine
SMILESCCOc1ccc(-n2nc(CN)cc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H18FN3O/c1-2-23-17-9-7-16(8-10-17)22-18(11-15(12-20)21-22)13-3-5-14(19)6-4-13/h3-11H,2,12,20H2,1H3
InChIKeyHSBACHPQMUSCSJ-UHFFFAOYSA-N
XLogP3.54
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanamine
CID 82072614
[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]methanamine
CID 82072095
[1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]methanamine
CID 82071935
3-(fluoromethyl)-1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazole
CID 10781681
[5-(4-fluorophenyl)-1-(2-methylphenyl)pyrazol-3-yl]methanamine
CID 82072215
[5-(2-fluorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]methanamine
CID 82072742
2-[5-(4-ethoxyphenyl)-1-methylpyrazol-3-yl]ethanamine
CID 82072251
[1-(4-fluorophenyl)-5-thiophen-2-ylpyrazol-3-yl]methanamine
CID 82072979
1-[1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazol-3-yl]-N,N-dimethylmethanamine
CID 23174225
ethane;1-ethoxy-4-fluorobenzene
CID 143106824
ethyl 1-(4-fluorophenyl)-5-phenylpyrazole-3-carboxylate
CID 11370315
[1-(2-methoxyphenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]methanamine
CID 82071949

Frequently Asked Questions

What is the IUPAC name of [1-(4-ethoxyphenyl)-5-(4-fluorophenyl)pyrazol-3-yl]methanamine?
The IUPAC name of [1-(4-ethoxyphenyl)-5-(4-fluorophenyl)pyrazol-3-yl]methanamine (CID 82072208) is [1-(4-ethoxyphenyl)-5-(4-fluorophenyl)pyrazol-3-yl]methanamine.
What is the SMILES notation for [1-(4-ethoxyphenyl)-5-(4-fluorophenyl)pyrazol-3-yl]methanamine?
The canonical SMILES for [1-(4-ethoxyphenyl)-5-(4-fluorophenyl)pyrazol-3-yl]methanamine is CCOc1ccc(-n2nc(CN)cc2-c2ccc(F)cc2)cc1.
What is the InChIKey of [1-(4-ethoxyphenyl)-5-(4-fluorophenyl)pyrazol-3-yl]methanamine?
The InChIKey is HSBACHPQMUSCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O/c1-2-23-17-9-7-16(8-10-17)22-18(11-15(12-20)21-22)13-3-5-14(19)6-4-13/h3-11H,2,12,20H2,1H3.
What are the key properties of [1-(4-ethoxyphenyl)-5-(4-fluorophenyl)pyrazol-3-yl]methanamine?
[1-(4-ethoxyphenyl)-5-(4-fluorophenyl)pyrazol-3-yl]methanamine has a molecular weight of 311.36 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethoxyphenyl)-5-(4-fluorophenyl)pyrazol-3-yl]methanamine is sourced from PubChem (CID 82072208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).