1-[(2-bromophenyl)methyl]-4-methylpyrazol-3-amine

C11H12BrN3 — CID 63276707

IUPAC1-[(2-bromophenyl)methyl]-4-methylpyrazol-3-amine
SMILESCc1cn(Cc2ccccc2Br)nc1N
InChIInChI=1S/C11H12BrN3/c1-8-6-15(14-11(8)13)7-9-4-2-3-5-10(9)12/h2-6H,7H2,1H3,(H2,13,14)
InChIKeyRUNFLKQFJVQCMF-UHFFFAOYSA-N
MW266.14 g/mol
LogP2.58
Rot. Bonds2

About 1-[(2-bromophenyl)methyl]-4-methylpyrazol-3-amine

1-[(2-bromophenyl)methyl]-4-methylpyrazol-3-amine (PubChem CID 63276707) has the molecular formula C11H12BrN3 and a molecular weight of 266.14 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-4-methylpyrazol-3-amine.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-4-methylpyrazol-3-amine
PubChem CID63276707
Molecular FormulaC11H12BrN3
Molecular Weight266.14 g/mol
Exact Mass265.02
IUPAC Name1-[(2-bromophenyl)methyl]-4-methylpyrazol-3-amine
SMILESCc1cn(Cc2ccccc2Br)nc1N
InChIInChI=1S/C11H12BrN3/c1-8-6-15(14-11(8)13)7-9-4-2-3-5-10(9)12/h2-6H,7H2,1H3,(H2,13,14)
InChIKeyRUNFLKQFJVQCMF-UHFFFAOYSA-N
XLogP2.58
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-bromophenyl)methyl]-3-(5-methylthiophen-2-yl)pyrazol-4-amine
CID 83223316
1-[(2-bromophenyl)methyl]pyrazol-3-amine
CID 60783201
1-[(2-bromophenyl)methyl]-3-methylpyrazole-4-carboxylic acid
CID 63276661
1-(2-bromophenyl)-4-methylpyrazol-3-amine
CID 62677549
1-[(2-bromophenyl)methyl]-3-pyridin-2-ylpyrazol-4-amine
CID 83222254
1-[(2-bromophenyl)methyl]-3-(2-chlorophenyl)pyrazol-4-amine
CID 83203919
1-[(2-bromophenyl)methyl]-3-propan-2-ylpyrazole-4-carboxylic acid
CID 63276660
2-[(3-bromo-2-methylphenyl)methyl]indazole
CID 59375084
1-[(2-bromophenyl)methyl]-3-(2-methylphenyl)pyrazol-5-amine
CID 63276403
1-[(1,4-dimethylpyrazol-3-yl)methyl]-4-methylpyrazol-3-amine
CID 165480403
bis([1-[(2-bromophenyl)methyl]triazol-4-yl]methanamine);trihydrochloride
CID 163346129
1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 55110447

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]-4-methylpyrazol-3-amine?
The IUPAC name of 1-[(2-bromophenyl)methyl]-4-methylpyrazol-3-amine (CID 63276707) is 1-[(2-bromophenyl)methyl]-4-methylpyrazol-3-amine.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-4-methylpyrazol-3-amine?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-4-methylpyrazol-3-amine is Cc1cn(Cc2ccccc2Br)nc1N.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-4-methylpyrazol-3-amine?
The InChIKey is RUNFLKQFJVQCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3/c1-8-6-15(14-11(8)13)7-9-4-2-3-5-10(9)12/h2-6H,7H2,1H3,(H2,13,14).
What are the key properties of 1-[(2-bromophenyl)methyl]-4-methylpyrazol-3-amine?
1-[(2-bromophenyl)methyl]-4-methylpyrazol-3-amine has a molecular weight of 266.14 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]-4-methylpyrazol-3-amine is sourced from PubChem (CID 63276707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).