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

C12H14FN3 — CID 16606839

IUPAC3-ethyl-4-(4-fluorophenyl)-1-methylpyrazol-5-amine
SMILESCCc1nn(C)c(N)c1-c1ccc(F)cc1
InChIInChI=1S/C12H14FN3/c1-3-10-11(12(14)16(2)15-10)8-4-6-9(13)7-5-8/h4-7H,3,14H2,1-2H3
InChIKeyVYIRDYHJGDIXTN-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.37
Rot. Bonds2

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

3-ethyl-4-(4-fluorophenyl)-1-methylpyrazol-5-amine (PubChem CID 16606839) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 3-ethyl-4-(4-fluorophenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-ethyl-4-(4-fluorophenyl)-1-methylpyrazol-5-amine
PubChem CID16606839
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name3-ethyl-4-(4-fluorophenyl)-1-methylpyrazol-5-amine
SMILESCCc1nn(C)c(N)c1-c1ccc(F)cc1
InChIInChI=1S/C12H14FN3/c1-3-10-11(12(14)16(2)15-10)8-4-6-9(13)7-5-8/h4-7H,3,14H2,1-2H3
InChIKeyVYIRDYHJGDIXTN-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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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(4-fluorophenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-ethyl-4-(4-fluorophenyl)-1-methylpyrazol-5-amine (CID 16606839) is 3-ethyl-4-(4-fluorophenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-ethyl-4-(4-fluorophenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-ethyl-4-(4-fluorophenyl)-1-methylpyrazol-5-amine is CCc1nn(C)c(N)c1-c1ccc(F)cc1.
What is the InChIKey of 3-ethyl-4-(4-fluorophenyl)-1-methylpyrazol-5-amine?
The InChIKey is VYIRDYHJGDIXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-3-10-11(12(14)16(2)15-10)8-4-6-9(13)7-5-8/h4-7H,3,14H2,1-2H3.
What are the key properties of 3-ethyl-4-(4-fluorophenyl)-1-methylpyrazol-5-amine?
3-ethyl-4-(4-fluorophenyl)-1-methylpyrazol-5-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 3-ethyl-4-(4-fluorophenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 16606839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).