5-ethyl-N-[(4-fluorophenyl)methyl]-1-(2-methylpropyl)pyrazol-4-amine

C16H22FN3 — CID 71906897

IUPAC5-ethyl-N-[(4-fluorophenyl)methyl]-1-(2-methylpropyl)pyrazol-4-amine
SMILESCCc1c(NCc2ccc(F)cc2)cnn1CC(C)C
InChIInChI=1S/C16H22FN3/c1-4-16-15(10-19-20(16)11-12(2)3)18-9-13-5-7-14(17)8-6-13/h5-8,10,12,18H,4,9,11H2,1-3H3
InChIKeyJIIUADZSUDFAAX-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.85
Rot. Bonds6

About 5-ethyl-N-[(4-fluorophenyl)methyl]-1-(2-methylpropyl)pyrazol-4-amine

5-ethyl-N-[(4-fluorophenyl)methyl]-1-(2-methylpropyl)pyrazol-4-amine (PubChem CID 71906897) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is 5-ethyl-N-[(4-fluorophenyl)methyl]-1-(2-methylpropyl)pyrazol-4-amine.

Molecular Properties

Compound Name5-ethyl-N-[(4-fluorophenyl)methyl]-1-(2-methylpropyl)pyrazol-4-amine
PubChem CID71906897
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC Name5-ethyl-N-[(4-fluorophenyl)methyl]-1-(2-methylpropyl)pyrazol-4-amine
SMILESCCc1c(NCc2ccc(F)cc2)cnn1CC(C)C
InChIInChI=1S/C16H22FN3/c1-4-16-15(10-19-20(16)11-12(2)3)18-9-13-5-7-14(17)8-6-13/h5-8,10,12,18H,4,9,11H2,1-3H3
InChIKeyJIIUADZSUDFAAX-UHFFFAOYSA-N
XLogP3.85
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(4-fluorophenyl)methyl]-1-(2-methylpropyl)pyrazol-4-amine?
The IUPAC name of 5-ethyl-N-[(4-fluorophenyl)methyl]-1-(2-methylpropyl)pyrazol-4-amine (CID 71906897) is 5-ethyl-N-[(4-fluorophenyl)methyl]-1-(2-methylpropyl)pyrazol-4-amine.
What is the SMILES notation for 5-ethyl-N-[(4-fluorophenyl)methyl]-1-(2-methylpropyl)pyrazol-4-amine?
The canonical SMILES for 5-ethyl-N-[(4-fluorophenyl)methyl]-1-(2-methylpropyl)pyrazol-4-amine is CCc1c(NCc2ccc(F)cc2)cnn1CC(C)C.
What is the InChIKey of 5-ethyl-N-[(4-fluorophenyl)methyl]-1-(2-methylpropyl)pyrazol-4-amine?
The InChIKey is JIIUADZSUDFAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-4-16-15(10-19-20(16)11-12(2)3)18-9-13-5-7-14(17)8-6-13/h5-8,10,12,18H,4,9,11H2,1-3H3.
What are the key properties of 5-ethyl-N-[(4-fluorophenyl)methyl]-1-(2-methylpropyl)pyrazol-4-amine?
5-ethyl-N-[(4-fluorophenyl)methyl]-1-(2-methylpropyl)pyrazol-4-amine has a molecular weight of 275.37 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(4-fluorophenyl)methyl]-1-(2-methylpropyl)pyrazol-4-amine is sourced from PubChem (CID 71906897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).