3-(2-bromophenyl)-N,5-dimethyl-1H-pyrazol-4-amine

C11H12BrN3 — CID 116827020

IUPAC3-(2-bromophenyl)-N,5-dimethyl-1H-pyrazol-4-amine
SMILESCNc1c(-c2ccccc2Br)n[nH]c1C
InChIInChI=1S/C11H12BrN3/c1-7-10(13-2)11(15-14-7)8-5-3-4-6-9(8)12/h3-6,13H,1-2H3,(H,14,15)
InChIKeySPTFCJXYQBSHIJ-UHFFFAOYSA-N
MW266.14 g/mol
LogP3.19
Rot. Bonds2

About 3-(2-bromophenyl)-N,5-dimethyl-1H-pyrazol-4-amine

3-(2-bromophenyl)-N,5-dimethyl-1H-pyrazol-4-amine (PubChem CID 116827020) has the molecular formula C11H12BrN3 and a molecular weight of 266.14 g/mol. Its IUPAC name is 3-(2-bromophenyl)-N,5-dimethyl-1H-pyrazol-4-amine.

Molecular Properties

Compound Name3-(2-bromophenyl)-N,5-dimethyl-1H-pyrazol-4-amine
PubChem CID116827020
Molecular FormulaC11H12BrN3
Molecular Weight266.14 g/mol
Exact Mass265.02
IUPAC Name3-(2-bromophenyl)-N,5-dimethyl-1H-pyrazol-4-amine
SMILESCNc1c(-c2ccccc2Br)n[nH]c1C
InChIInChI=1S/C11H12BrN3/c1-7-10(13-2)11(15-14-7)8-5-3-4-6-9(8)12/h3-6,13H,1-2H3,(H,14,15)
InChIKeySPTFCJXYQBSHIJ-UHFFFAOYSA-N
XLogP3.19
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(2-bromophenyl)-N,5-dimethyl-1H-pyrazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1H-indol-3-yl)-N,5-dimethyl-1H-pyrazol-4-amine
CID 136995809
3-(3-bromo-4-methoxyphenyl)-N,5-dimethyl-1H-pyrazol-4-amine
CID 116826928
N,5-dimethyl-3-pyridin-4-yl-1H-pyrazol-4-amine
CID 116827006
3-(2-bromophenyl)-4-methyl-1H-1,2,4-triazol-5-one
CID 163257068
3-(2-methoxy-4,5-dimethylphenyl)-N,5-dimethyl-1H-pyrazol-4-amine
CID 116826932
N,5-dimethyl-3-(1H-pyrrol-3-yl)-1H-pyrazol-4-amine
CID 136995812
N,5-dimethyl-3-(6-methylnaphthalen-2-yl)-1H-pyrazol-4-amine
CID 116827019
6-(2-bromophenyl)-N-methylpyrazin-2-amine
CID 115503726
N-[(2-bromophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547216
2-(2-bromophenyl)-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66305711
4-(2-bromophenyl)-N-methylpyrimidin-2-amine
CID 63548579
3-(2-bromophenyl)-4,5-bis(trifluoromethyl)-1H-pyrazole
CID 173049957

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-N,5-dimethyl-1H-pyrazol-4-amine?
The IUPAC name of 3-(2-bromophenyl)-N,5-dimethyl-1H-pyrazol-4-amine (CID 116827020) is 3-(2-bromophenyl)-N,5-dimethyl-1H-pyrazol-4-amine.
What is the SMILES notation for 3-(2-bromophenyl)-N,5-dimethyl-1H-pyrazol-4-amine?
The canonical SMILES for 3-(2-bromophenyl)-N,5-dimethyl-1H-pyrazol-4-amine is CNc1c(-c2ccccc2Br)n[nH]c1C.
What is the InChIKey of 3-(2-bromophenyl)-N,5-dimethyl-1H-pyrazol-4-amine?
The InChIKey is SPTFCJXYQBSHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3/c1-7-10(13-2)11(15-14-7)8-5-3-4-6-9(8)12/h3-6,13H,1-2H3,(H,14,15).
What are the key properties of 3-(2-bromophenyl)-N,5-dimethyl-1H-pyrazol-4-amine?
3-(2-bromophenyl)-N,5-dimethyl-1H-pyrazol-4-amine has a molecular weight of 266.14 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-N,5-dimethyl-1H-pyrazol-4-amine is sourced from PubChem (CID 116827020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).