3-(3-bromo-4-fluorophenyl)-1-(1-cyclopropylethyl)pyrazol-4-amine

C14H15BrFN3 — CID 83218167

IUPAC3-(3-bromo-4-fluorophenyl)-1-(1-cyclopropylethyl)pyrazol-4-amine
SMILESCC(C1CC1)n1cc(N)c(-c2ccc(F)c(Br)c2)n1
InChIInChI=1S/C14H15BrFN3/c1-8(9-2-3-9)19-7-13(17)14(18-19)10-4-5-12(16)11(15)6-10/h4-9H,2-3,17H2,1H3
InChIKeyYUZKNGYVWWPFIA-UHFFFAOYSA-N
MW324.20 g/mol
LogP4.00
Rot. Bonds3

About 3-(3-bromo-4-fluorophenyl)-1-(1-cyclopropylethyl)pyrazol-4-amine

3-(3-bromo-4-fluorophenyl)-1-(1-cyclopropylethyl)pyrazol-4-amine (PubChem CID 83218167) has the molecular formula C14H15BrFN3 and a molecular weight of 324.20 g/mol. Its IUPAC name is 3-(3-bromo-4-fluorophenyl)-1-(1-cyclopropylethyl)pyrazol-4-amine.

Molecular Properties

Compound Name3-(3-bromo-4-fluorophenyl)-1-(1-cyclopropylethyl)pyrazol-4-amine
PubChem CID83218167
Molecular FormulaC14H15BrFN3
Molecular Weight324.20 g/mol
Exact Mass323.04
IUPAC Name3-(3-bromo-4-fluorophenyl)-1-(1-cyclopropylethyl)pyrazol-4-amine
SMILESCC(C1CC1)n1cc(N)c(-c2ccc(F)c(Br)c2)n1
InChIInChI=1S/C14H15BrFN3/c1-8(9-2-3-9)19-7-13(17)14(18-19)10-4-5-12(16)11(15)6-10/h4-9H,2-3,17H2,1H3
InChIKeyYUZKNGYVWWPFIA-UHFFFAOYSA-N
XLogP4.00
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-fluorophenyl)-1-(1-cyclopropylethyl)pyrazol-4-amine?
The IUPAC name of 3-(3-bromo-4-fluorophenyl)-1-(1-cyclopropylethyl)pyrazol-4-amine (CID 83218167) is 3-(3-bromo-4-fluorophenyl)-1-(1-cyclopropylethyl)pyrazol-4-amine.
What is the SMILES notation for 3-(3-bromo-4-fluorophenyl)-1-(1-cyclopropylethyl)pyrazol-4-amine?
The canonical SMILES for 3-(3-bromo-4-fluorophenyl)-1-(1-cyclopropylethyl)pyrazol-4-amine is CC(C1CC1)n1cc(N)c(-c2ccc(F)c(Br)c2)n1.
What is the InChIKey of 3-(3-bromo-4-fluorophenyl)-1-(1-cyclopropylethyl)pyrazol-4-amine?
The InChIKey is YUZKNGYVWWPFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3/c1-8(9-2-3-9)19-7-13(17)14(18-19)10-4-5-12(16)11(15)6-10/h4-9H,2-3,17H2,1H3.
What are the key properties of 3-(3-bromo-4-fluorophenyl)-1-(1-cyclopropylethyl)pyrazol-4-amine?
3-(3-bromo-4-fluorophenyl)-1-(1-cyclopropylethyl)pyrazol-4-amine has a molecular weight of 324.20 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-fluorophenyl)-1-(1-cyclopropylethyl)pyrazol-4-amine is sourced from PubChem (CID 83218167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).