5-ethyl-4-(4-fluorophenyl)-1H-pyrazol-3-amine

C11H12FN3 — CID 16606840

IUPAC5-ethyl-4-(4-fluorophenyl)-1H-pyrazol-3-amine
SMILESCCc1[nH]nc(N)c1-c1ccc(F)cc1
InChIInChI=1S/C11H12FN3/c1-2-9-10(11(13)15-14-9)7-3-5-8(12)6-4-7/h3-6H,2H2,1H3,(H3,13,14,15)
InChIKeySWSXGBQBODSZLW-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.36
Rot. Bonds2

About 5-ethyl-4-(4-fluorophenyl)-1H-pyrazol-3-amine

5-ethyl-4-(4-fluorophenyl)-1H-pyrazol-3-amine (PubChem CID 16606840) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is 5-ethyl-4-(4-fluorophenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-ethyl-4-(4-fluorophenyl)-1H-pyrazol-3-amine
PubChem CID16606840
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name5-ethyl-4-(4-fluorophenyl)-1H-pyrazol-3-amine
SMILESCCc1[nH]nc(N)c1-c1ccc(F)cc1
InChIInChI=1S/C11H12FN3/c1-2-9-10(11(13)15-14-9)7-3-5-8(12)6-4-7/h3-6H,2H2,1H3,(H3,13,14,15)
InChIKeySWSXGBQBODSZLW-UHFFFAOYSA-N
XLogP2.36
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(4-fluorophenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-ethyl-4-(4-fluorophenyl)-1H-pyrazol-3-amine (CID 16606840) is 5-ethyl-4-(4-fluorophenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-ethyl-4-(4-fluorophenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-ethyl-4-(4-fluorophenyl)-1H-pyrazol-3-amine is CCc1[nH]nc(N)c1-c1ccc(F)cc1.
What is the InChIKey of 5-ethyl-4-(4-fluorophenyl)-1H-pyrazol-3-amine?
The InChIKey is SWSXGBQBODSZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c1-2-9-10(11(13)15-14-9)7-3-5-8(12)6-4-7/h3-6H,2H2,1H3,(H3,13,14,15).
What are the key properties of 5-ethyl-4-(4-fluorophenyl)-1H-pyrazol-3-amine?
5-ethyl-4-(4-fluorophenyl)-1H-pyrazol-3-amine has a molecular weight of 205.24 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(4-fluorophenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 16606840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).