4-ethyl-5-(3-fluorophenyl)-1-methylpyrazol-3-amine

C12H14FN3 — CID 105474027

IUPAC4-ethyl-5-(3-fluorophenyl)-1-methylpyrazol-3-amine
SMILESCCc1c(N)nn(C)c1-c1cccc(F)c1
InChIInChI=1S/C12H14FN3/c1-3-10-11(16(2)15-12(10)14)8-5-4-6-9(13)7-8/h4-7H,3H2,1-2H3,(H2,14,15)
InChIKeyJVXIWFBPRGCHGO-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.37
Rot. Bonds2

About 4-ethyl-5-(3-fluorophenyl)-1-methylpyrazol-3-amine

4-ethyl-5-(3-fluorophenyl)-1-methylpyrazol-3-amine (PubChem CID 105474027) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 4-ethyl-5-(3-fluorophenyl)-1-methylpyrazol-3-amine.

Molecular Properties

Compound Name4-ethyl-5-(3-fluorophenyl)-1-methylpyrazol-3-amine
PubChem CID105474027
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name4-ethyl-5-(3-fluorophenyl)-1-methylpyrazol-3-amine
SMILESCCc1c(N)nn(C)c1-c1cccc(F)c1
InChIInChI=1S/C12H14FN3/c1-3-10-11(16(2)15-12(10)14)8-5-4-6-9(13)7-8/h4-7H,3H2,1-2H3,(H2,14,15)
InChIKeyJVXIWFBPRGCHGO-UHFFFAOYSA-N
XLogP2.37
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-5-(4-fluorophenyl)-1-methylpyrazol-3-amine
CID 105474028
3-(3-fluorophenyl)-1-propylpyrazol-4-amine
CID 83223075
[5-(3-fluorophenyl)-1-methylpyrazol-4-yl]methanamine
CID 83819837
[5-(3-fluorophenyl)-1-methyltriazol-4-yl]methanamine
CID 82207879
4-ethyl-1-methyl-3,5-diphenylpyrazole
CID 21441230
1-ethyl-3-(3-fluorophenyl)pyrazol-5-amine
CID 61265903
4-ethyl-1,3-dimethyl-5-phenylpyrazole
CID 70791504
3-(3-bromophenyl)-4-(3-fluorophenyl)-1-methylpyrazol-5-amine
CID 43158704
4-(3-bromophenyl)-3-(3-fluorophenyl)-1-methylpyrazol-5-amine
CID 43560827
3-tert-butyl-4-(3-fluorophenyl)-1-methylpyrazol-5-amine
CID 43158703
4-chloro-1-methyl-5-(3-methylphenyl)pyrazol-3-amine
CID 83910681
3-[4-bromo-5-(3-fluorophenyl)-1-methylpyrazol-3-yl]propanoic acid
CID 84607468

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(3-fluorophenyl)-1-methylpyrazol-3-amine?
The IUPAC name of 4-ethyl-5-(3-fluorophenyl)-1-methylpyrazol-3-amine (CID 105474027) is 4-ethyl-5-(3-fluorophenyl)-1-methylpyrazol-3-amine.
What is the SMILES notation for 4-ethyl-5-(3-fluorophenyl)-1-methylpyrazol-3-amine?
The canonical SMILES for 4-ethyl-5-(3-fluorophenyl)-1-methylpyrazol-3-amine is CCc1c(N)nn(C)c1-c1cccc(F)c1.
What is the InChIKey of 4-ethyl-5-(3-fluorophenyl)-1-methylpyrazol-3-amine?
The InChIKey is JVXIWFBPRGCHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-3-10-11(16(2)15-12(10)14)8-5-4-6-9(13)7-8/h4-7H,3H2,1-2H3,(H2,14,15).
What are the key properties of 4-ethyl-5-(3-fluorophenyl)-1-methylpyrazol-3-amine?
4-ethyl-5-(3-fluorophenyl)-1-methylpyrazol-3-amine has a molecular weight of 219.26 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(3-fluorophenyl)-1-methylpyrazol-3-amine is sourced from PubChem (CID 105474027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).