N-(3-bromophenyl)-1,5-dimethylpyrazol-4-amine

C11H12BrN3 — CID 115049456

IUPACN-(3-bromophenyl)-1,5-dimethylpyrazol-4-amine
SMILESCc1c(Nc2cccc(Br)c2)cnn1C
InChIInChI=1S/C11H12BrN3/c1-8-11(7-13-15(8)2)14-10-5-3-4-9(12)6-10/h3-7,14H,1-2H3
InChIKeyVHJOIRNRKSXFBS-UHFFFAOYSA-N
MW266.14 g/mol
LogP3.23
Rot. Bonds2

About N-(3-bromophenyl)-1,5-dimethylpyrazol-4-amine

N-(3-bromophenyl)-1,5-dimethylpyrazol-4-amine (PubChem CID 115049456) has the molecular formula C11H12BrN3 and a molecular weight of 266.14 g/mol. Its IUPAC name is N-(3-bromophenyl)-1,5-dimethylpyrazol-4-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-1,5-dimethylpyrazol-4-amine
PubChem CID115049456
Molecular FormulaC11H12BrN3
Molecular Weight266.14 g/mol
Exact Mass265.02
IUPAC NameN-(3-bromophenyl)-1,5-dimethylpyrazol-4-amine
SMILESCc1c(Nc2cccc(Br)c2)cnn1C
InChIInChI=1S/C11H12BrN3/c1-8-11(7-13-15(8)2)14-10-5-3-4-9(12)6-10/h3-7,14H,1-2H3
InChIKeyVHJOIRNRKSXFBS-UHFFFAOYSA-N
XLogP3.23
TPSA29.85 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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-5-methyl-1H-pyrazol-4-amine
CID 115046902
2-(3-bromoanilino)-2-(1,5-dimethylpyrazol-4-yl)acetic acid
CID 79583511
ethyl 2-(3-bromoanilino)-2-(1,5-dimethylpyrazol-4-yl)acetate
CID 79570015
5-(3-bromoanilino)-6-methyl-1H-pyrimidin-2-one
CID 115051501
1-N-(3-bromophenyl)-2-N-(2,4,6-trimethylphenyl)benzene-1,2-diamine
CID 176782493
3-bromo-N-phenylaniline
CID 14958606
5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylaniline
CID 79579238
N-(3-bromophenyl)-2,8-dimethylquinolin-4-amine
CID 772388
N-[3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-3-fluoro-2-methylaniline
CID 10406197
4-N-(3-bromophenyl)-2-methylbenzene-1,4-diamine
CID 43436300
N-(3-bromophenyl)-6,7-dimethylquinazolin-4-amine;dihydrate
CID 169427940
5-bromo-N-(3-bromophenyl)pyridin-2-amine
CID 61375271

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-1,5-dimethylpyrazol-4-amine?
The IUPAC name of N-(3-bromophenyl)-1,5-dimethylpyrazol-4-amine (CID 115049456) is N-(3-bromophenyl)-1,5-dimethylpyrazol-4-amine.
What is the SMILES notation for N-(3-bromophenyl)-1,5-dimethylpyrazol-4-amine?
The canonical SMILES for N-(3-bromophenyl)-1,5-dimethylpyrazol-4-amine is Cc1c(Nc2cccc(Br)c2)cnn1C.
What is the InChIKey of N-(3-bromophenyl)-1,5-dimethylpyrazol-4-amine?
The InChIKey is VHJOIRNRKSXFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3/c1-8-11(7-13-15(8)2)14-10-5-3-4-9(12)6-10/h3-7,14H,1-2H3.
What are the key properties of N-(3-bromophenyl)-1,5-dimethylpyrazol-4-amine?
N-(3-bromophenyl)-1,5-dimethylpyrazol-4-amine has a molecular weight of 266.14 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-1,5-dimethylpyrazol-4-amine is sourced from PubChem (CID 115049456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).