5-(2,4-dibromophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine

C16H13Br2N3 — CID 107955079

IUPAC5-(2,4-dibromophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine
SMILESCc1ccccc1-c1c(N)n[nH]c1-c1ccc(Br)cc1Br
InChIInChI=1S/C16H13Br2N3/c1-9-4-2-3-5-11(9)14-15(20-21-16(14)19)12-7-6-10(17)8-13(12)18/h2-8H,1H3,(H3,19,20,21)
InChIKeyAQMDUJVJYHUQPK-UHFFFAOYSA-N
MW407.11 g/mol
LogP5.16
Rot. Bonds2

About 5-(2,4-dibromophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine

5-(2,4-dibromophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine (PubChem CID 107955079) has the molecular formula C16H13Br2N3 and a molecular weight of 407.11 g/mol. Its IUPAC name is 5-(2,4-dibromophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2,4-dibromophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine
PubChem CID107955079
Molecular FormulaC16H13Br2N3
Molecular Weight407.11 g/mol
Exact Mass404.95
IUPAC Name5-(2,4-dibromophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine
SMILESCc1ccccc1-c1c(N)n[nH]c1-c1ccc(Br)cc1Br
InChIInChI=1S/C16H13Br2N3/c1-9-4-2-3-5-11(9)14-15(20-21-16(14)19)12-7-6-10(17)8-13(12)18/h2-8H,1H3,(H3,19,20,21)
InChIKeyAQMDUJVJYHUQPK-UHFFFAOYSA-N
XLogP5.16
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.11
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(5-bromo-2-methylphenyl)-4-(2-chlorophenyl)-1H-pyrazol-3-amine
CID 65308168
5-(2,5-dibromothiophen-3-yl)-4-(2-methylphenyl)-1H-pyrazol-3-amine
CID 107962560
4-(2-bromophenyl)-5-(2,4-dimethylphenyl)-1H-pyrazol-3-amine
CID 62829643
5-(2,3-difluorophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine
CID 62648782
5-(2-bromo-3-methylphenyl)-4-(3-bromophenyl)-1H-pyrazol-3-amine
CID 107982716
5-(2,4-dibromophenyl)-4-ethyl-1H-pyrazol-3-amine
CID 107955144
5-(4,5-dimethylthiophen-2-yl)-4-(2-methylphenyl)-1H-pyrazol-3-amine
CID 65238808
5-(3-chloro-5-methylphenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine
CID 81316434
5-(3-chloro-2-fluorophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine
CID 81266285
5-(2-methylphenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine
CID 80521126
4-(2-bromophenyl)-5-(3,5-dimethylphenyl)-1H-pyrazol-3-amine
CID 62831030
5-(5-fluoro-3-pyridinyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine
CID 104785937

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dibromophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(2,4-dibromophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine (CID 107955079) is 5-(2,4-dibromophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2,4-dibromophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2,4-dibromophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine is Cc1ccccc1-c1c(N)n[nH]c1-c1ccc(Br)cc1Br.
What is the InChIKey of 5-(2,4-dibromophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine?
The InChIKey is AQMDUJVJYHUQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Br2N3/c1-9-4-2-3-5-11(9)14-15(20-21-16(14)19)12-7-6-10(17)8-13(12)18/h2-8H,1H3,(H3,19,20,21).
What are the key properties of 5-(2,4-dibromophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine?
5-(2,4-dibromophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine has a molecular weight of 407.11 g/mol, XLogP of 5.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dibromophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 107955079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).