4-bromo-5-(4-fluorophenyl)-N,N-dimethyl-1H-pyrazol-3-amine

C11H11BrFN3 — CID 116826006

IUPAC4-bromo-5-(4-fluorophenyl)-N,N-dimethyl-1H-pyrazol-3-amine
SMILESCN(C)c1n[nH]c(-c2ccc(F)cc2)c1Br
InChIInChI=1S/C11H11BrFN3/c1-16(2)11-9(12)10(14-15-11)7-3-5-8(13)6-4-7/h3-6H,1-2H3,(H,14,15)
InChIKeyCBIVYSJRURAHMY-UHFFFAOYSA-N
MW284.13 g/mol
LogP3.04
Rot. Bonds2

About 4-bromo-5-(4-fluorophenyl)-N,N-dimethyl-1H-pyrazol-3-amine

4-bromo-5-(4-fluorophenyl)-N,N-dimethyl-1H-pyrazol-3-amine (PubChem CID 116826006) has the molecular formula C11H11BrFN3 and a molecular weight of 284.13 g/mol. Its IUPAC name is 4-bromo-5-(4-fluorophenyl)-N,N-dimethyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-bromo-5-(4-fluorophenyl)-N,N-dimethyl-1H-pyrazol-3-amine
PubChem CID116826006
Molecular FormulaC11H11BrFN3
Molecular Weight284.13 g/mol
Exact Mass283.01
IUPAC Name4-bromo-5-(4-fluorophenyl)-N,N-dimethyl-1H-pyrazol-3-amine
SMILESCN(C)c1n[nH]c(-c2ccc(F)cc2)c1Br
InChIInChI=1S/C11H11BrFN3/c1-16(2)11-9(12)10(14-15-11)7-3-5-8(13)6-4-7/h3-6H,1-2H3,(H,14,15)
InChIKeyCBIVYSJRURAHMY-UHFFFAOYSA-N
XLogP3.04
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.13
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(4-fluorophenyl)-N,N-dimethyl-1H-pyrazol-3-amine?
The IUPAC name of 4-bromo-5-(4-fluorophenyl)-N,N-dimethyl-1H-pyrazol-3-amine (CID 116826006) is 4-bromo-5-(4-fluorophenyl)-N,N-dimethyl-1H-pyrazol-3-amine.
What is the SMILES notation for 4-bromo-5-(4-fluorophenyl)-N,N-dimethyl-1H-pyrazol-3-amine?
The canonical SMILES for 4-bromo-5-(4-fluorophenyl)-N,N-dimethyl-1H-pyrazol-3-amine is CN(C)c1n[nH]c(-c2ccc(F)cc2)c1Br.
What is the InChIKey of 4-bromo-5-(4-fluorophenyl)-N,N-dimethyl-1H-pyrazol-3-amine?
The InChIKey is CBIVYSJRURAHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3/c1-16(2)11-9(12)10(14-15-11)7-3-5-8(13)6-4-7/h3-6H,1-2H3,(H,14,15).
What are the key properties of 4-bromo-5-(4-fluorophenyl)-N,N-dimethyl-1H-pyrazol-3-amine?
4-bromo-5-(4-fluorophenyl)-N,N-dimethyl-1H-pyrazol-3-amine has a molecular weight of 284.13 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(4-fluorophenyl)-N,N-dimethyl-1H-pyrazol-3-amine is sourced from PubChem (CID 116826006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).