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

C17H16BrN3 — CID 62829643

IUPAC4-(2-bromophenyl)-5-(2,4-dimethylphenyl)-1H-pyrazol-3-amine
SMILESCc1ccc(-c2[nH]nc(N)c2-c2ccccc2Br)c(C)c1
InChIInChI=1S/C17H16BrN3/c1-10-7-8-12(11(2)9-10)16-15(17(19)21-20-16)13-5-3-4-6-14(13)18/h3-9H,1-2H3,(H3,19,20,21)
InChIKeyRQPXBLJAMBWLBS-UHFFFAOYSA-N
MW342.24 g/mol
LogP4.71
Rot. Bonds2

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

4-(2-bromophenyl)-5-(2,4-dimethylphenyl)-1H-pyrazol-3-amine (PubChem CID 62829643) has the molecular formula C17H16BrN3 and a molecular weight of 342.24 g/mol. Its IUPAC name is 4-(2-bromophenyl)-5-(2,4-dimethylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(2-bromophenyl)-5-(2,4-dimethylphenyl)-1H-pyrazol-3-amine
PubChem CID62829643
Molecular FormulaC17H16BrN3
Molecular Weight342.24 g/mol
Exact Mass341.05
IUPAC Name4-(2-bromophenyl)-5-(2,4-dimethylphenyl)-1H-pyrazol-3-amine
SMILESCc1ccc(-c2[nH]nc(N)c2-c2ccccc2Br)c(C)c1
InChIInChI=1S/C17H16BrN3/c1-10-7-8-12(11(2)9-10)16-15(17(19)21-20-16)13-5-3-4-6-14(13)18/h3-9H,1-2H3,(H3,19,20,21)
InChIKeyRQPXBLJAMBWLBS-UHFFFAOYSA-N
XLogP4.71
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-bromophenyl)-5-(3,5-dimethylphenyl)-1H-pyrazol-3-amine
CID 62831030
4-(2-bromophenyl)-5-(3,6-dimethylpyridazin-4-yl)-1H-pyrazol-3-amine
CID 104670712
4-(2-bromophenyl)-5-(2-chlorophenyl)-1H-pyrazol-3-amine
CID 62829467
5-(2,4-dibromophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine
CID 107955079
5-(2-bromo-5-fluorophenyl)-4-(2-bromophenyl)-1H-pyrazol-3-amine
CID 62829642
4-(2-bromophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine
CID 103118857
5-(2,5-dibromothiophen-3-yl)-4-(2-methylphenyl)-1H-pyrazol-3-amine
CID 107962560
5-(2-bromo-5-methylphenyl)-4-(4-chlorophenyl)-1H-pyrazol-3-amine
CID 81110725
5-(5-bromo-2-methylphenyl)-4-(2-chlorophenyl)-1H-pyrazol-3-amine
CID 65308168
5-(2-bromo-5-fluorophenyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine
CID 62830309
5-(2-chlorophenyl)-4-(4-methylphenyl)-1H-pyrazol-3-amine
CID 62830136
5-(2-methylphenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine
CID 80521126

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-5-(2,4-dimethylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(2-bromophenyl)-5-(2,4-dimethylphenyl)-1H-pyrazol-3-amine (CID 62829643) is 4-(2-bromophenyl)-5-(2,4-dimethylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(2-bromophenyl)-5-(2,4-dimethylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(2-bromophenyl)-5-(2,4-dimethylphenyl)-1H-pyrazol-3-amine is Cc1ccc(-c2[nH]nc(N)c2-c2ccccc2Br)c(C)c1.
What is the InChIKey of 4-(2-bromophenyl)-5-(2,4-dimethylphenyl)-1H-pyrazol-3-amine?
The InChIKey is RQPXBLJAMBWLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3/c1-10-7-8-12(11(2)9-10)16-15(17(19)21-20-16)13-5-3-4-6-14(13)18/h3-9H,1-2H3,(H3,19,20,21).
What are the key properties of 4-(2-bromophenyl)-5-(2,4-dimethylphenyl)-1H-pyrazol-3-amine?
4-(2-bromophenyl)-5-(2,4-dimethylphenyl)-1H-pyrazol-3-amine has a molecular weight of 342.24 g/mol, XLogP of 4.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-5-(2,4-dimethylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 62829643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).