(3-bromo-4-fluorophenyl)-(1-methylpyrazol-3-yl)methanamine

C11H11BrFN3 — CID 103131308

IUPAC(3-bromo-4-fluorophenyl)-(1-methylpyrazol-3-yl)methanamine
SMILESCn1ccc(C(N)c2ccc(F)c(Br)c2)n1
InChIInChI=1S/C11H11BrFN3/c1-16-5-4-10(15-16)11(14)7-2-3-9(13)8(12)6-7/h2-6,11H,14H2,1H3
InChIKeyAMEZWRBXKCNSBS-UHFFFAOYSA-N
MW284.13 g/mol
LogP2.37
Rot. Bonds2

About (3-bromo-4-fluorophenyl)-(1-methylpyrazol-3-yl)methanamine

(3-bromo-4-fluorophenyl)-(1-methylpyrazol-3-yl)methanamine (PubChem CID 103131308) has the molecular formula C11H11BrFN3 and a molecular weight of 284.13 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-(1-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-(1-methylpyrazol-3-yl)methanamine
PubChem CID103131308
Molecular FormulaC11H11BrFN3
Molecular Weight284.13 g/mol
Exact Mass283.01
IUPAC Name(3-bromo-4-fluorophenyl)-(1-methylpyrazol-3-yl)methanamine
SMILESCn1ccc(C(N)c2ccc(F)c(Br)c2)n1
InChIInChI=1S/C11H11BrFN3/c1-16-5-4-10(15-16)11(14)7-2-3-9(13)8(12)6-7/h2-6,11H,14H2,1H3
InChIKeyAMEZWRBXKCNSBS-UHFFFAOYSA-N
XLogP2.37
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.13
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dibromophenyl)-(1-methylpyrazol-3-yl)methanamine
CID 107977932
(2-bromo-4-chlorophenyl)-(1-methylpyrazol-3-yl)methanamine
CID 107995871
(5-bromothiophen-3-yl)-(1-methylpyrazol-3-yl)methanamine
CID 103135151
(5-methylfuran-3-yl)-(1-methylpyrazol-3-yl)methanamine
CID 103134923
(1-methylpyrazol-3-yl)-phenylmethanamine
CID 65200403
(2-bromo-5-methylphenyl)-(1-methylpyrazol-3-yl)methanamine
CID 103135283
(4-bromo-3-chloro-2-fluorophenyl)-(1-methylpyrazol-3-yl)methanamine
CID 106762598
(1-methylpyrazol-3-yl)-(1-methylpyrazol-4-yl)methanamine
CID 65200249
(3-bromo-4-fluorophenyl)-(4-tert-butylphenyl)methanamine
CID 79746427
(1-methylpyrazol-3-yl)-(4-propylphenyl)methanamine
CID 65200725
(3-bromo-4-fluorophenyl)-(2,4-dimethylphenyl)methanamine
CID 79746589
(3-bromo-4-fluorophenyl)-(3,5-dichlorophenyl)methanamine
CID 79747674

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-(1-methylpyrazol-3-yl)methanamine?
The IUPAC name of (3-bromo-4-fluorophenyl)-(1-methylpyrazol-3-yl)methanamine (CID 103131308) is (3-bromo-4-fluorophenyl)-(1-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-(1-methylpyrazol-3-yl)methanamine?
The canonical SMILES for (3-bromo-4-fluorophenyl)-(1-methylpyrazol-3-yl)methanamine is Cn1ccc(C(N)c2ccc(F)c(Br)c2)n1.
What is the InChIKey of (3-bromo-4-fluorophenyl)-(1-methylpyrazol-3-yl)methanamine?
The InChIKey is AMEZWRBXKCNSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3/c1-16-5-4-10(15-16)11(14)7-2-3-9(13)8(12)6-7/h2-6,11H,14H2,1H3.
What are the key properties of (3-bromo-4-fluorophenyl)-(1-methylpyrazol-3-yl)methanamine?
(3-bromo-4-fluorophenyl)-(1-methylpyrazol-3-yl)methanamine has a molecular weight of 284.13 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-fluorophenyl)-(1-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 103131308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).