N-[(4-bromo-2-fluorophenyl)methyl]-1-methylpyrazol-4-amine

C11H11BrFN3 — CID 43534732

IUPACN-[(4-bromo-2-fluorophenyl)methyl]-1-methylpyrazol-4-amine
SMILESCn1cc(NCc2ccc(Br)cc2F)cn1
InChIInChI=1S/C11H11BrFN3/c1-16-7-10(6-15-16)14-5-8-2-3-9(12)4-11(8)13/h2-4,6-7,14H,5H2,1H3
InChIKeyYMLLFZLEUOCCTB-UHFFFAOYSA-N
MW284.13 g/mol
LogP2.93
Rot. Bonds3

About N-[(4-bromo-2-fluorophenyl)methyl]-1-methylpyrazol-4-amine

N-[(4-bromo-2-fluorophenyl)methyl]-1-methylpyrazol-4-amine (PubChem CID 43534732) has the molecular formula C11H11BrFN3 and a molecular weight of 284.13 g/mol. Its IUPAC name is N-[(4-bromo-2-fluorophenyl)methyl]-1-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(4-bromo-2-fluorophenyl)methyl]-1-methylpyrazol-4-amine
PubChem CID43534732
Molecular FormulaC11H11BrFN3
Molecular Weight284.13 g/mol
Exact Mass283.01
IUPAC NameN-[(4-bromo-2-fluorophenyl)methyl]-1-methylpyrazol-4-amine
SMILESCn1cc(NCc2ccc(Br)cc2F)cn1
InChIInChI=1S/C11H11BrFN3/c1-16-7-10(6-15-16)14-5-8-2-3-9(12)4-11(8)13/h2-4,6-7,14H,5H2,1H3
InChIKeyYMLLFZLEUOCCTB-UHFFFAOYSA-N
XLogP2.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.13
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-1-methylpyrazol-4-amine?
The IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-1-methylpyrazol-4-amine (CID 43534732) is N-[(4-bromo-2-fluorophenyl)methyl]-1-methylpyrazol-4-amine.
What is the SMILES notation for N-[(4-bromo-2-fluorophenyl)methyl]-1-methylpyrazol-4-amine?
The canonical SMILES for N-[(4-bromo-2-fluorophenyl)methyl]-1-methylpyrazol-4-amine is Cn1cc(NCc2ccc(Br)cc2F)cn1.
What is the InChIKey of N-[(4-bromo-2-fluorophenyl)methyl]-1-methylpyrazol-4-amine?
The InChIKey is YMLLFZLEUOCCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3/c1-16-7-10(6-15-16)14-5-8-2-3-9(12)4-11(8)13/h2-4,6-7,14H,5H2,1H3.
What are the key properties of N-[(4-bromo-2-fluorophenyl)methyl]-1-methylpyrazol-4-amine?
N-[(4-bromo-2-fluorophenyl)methyl]-1-methylpyrazol-4-amine has a molecular weight of 284.13 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-fluorophenyl)methyl]-1-methylpyrazol-4-amine is sourced from PubChem (CID 43534732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).