5-(2-bromo-3-methylphenyl)-4-(3-bromophenyl)-1H-pyrazol-3-amine

C16H13Br2N3 — CID 107982716

IUPAC5-(2-bromo-3-methylphenyl)-4-(3-bromophenyl)-1H-pyrazol-3-amine
SMILESCc1cccc(-c2[nH]nc(N)c2-c2cccc(Br)c2)c1Br
InChIInChI=1S/C16H13Br2N3/c1-9-4-2-7-12(14(9)18)15-13(16(19)21-20-15)10-5-3-6-11(17)8-10/h2-8H,1H3,(H3,19,20,21)
InChIKeyAXWBVXGLVXUMHN-UHFFFAOYSA-N
MW407.11 g/mol
LogP5.16
Rot. Bonds2

About 5-(2-bromo-3-methylphenyl)-4-(3-bromophenyl)-1H-pyrazol-3-amine

5-(2-bromo-3-methylphenyl)-4-(3-bromophenyl)-1H-pyrazol-3-amine (PubChem CID 107982716) has the molecular formula C16H13Br2N3 and a molecular weight of 407.11 g/mol. Its IUPAC name is 5-(2-bromo-3-methylphenyl)-4-(3-bromophenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2-bromo-3-methylphenyl)-4-(3-bromophenyl)-1H-pyrazol-3-amine
PubChem CID107982716
Molecular FormulaC16H13Br2N3
Molecular Weight407.11 g/mol
Exact Mass404.95
IUPAC Name5-(2-bromo-3-methylphenyl)-4-(3-bromophenyl)-1H-pyrazol-3-amine
SMILESCc1cccc(-c2[nH]nc(N)c2-c2cccc(Br)c2)c1Br
InChIInChI=1S/C16H13Br2N3/c1-9-4-2-7-12(14(9)18)15-13(16(19)21-20-15)10-5-3-6-11(17)8-10/h2-8H,1H3,(H3,19,20,21)
InChIKeyAXWBVXGLVXUMHN-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

4-(3-bromophenyl)-5-(4-methylthiophen-3-yl)-1H-pyrazol-3-amine
CID 79802922
4-(3-bromophenyl)-5-(2-chloro-3-fluorophenyl)-1H-pyrazol-3-amine
CID 81454272
4-(3-bromophenyl)-5-(5-methylthiophen-2-yl)-1H-pyrazol-3-amine
CID 43561020
5-(2,3-dimethylphenyl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
CID 62830116
4-(3-bromophenyl)-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine
CID 65153292
5-(3-bromo-5-chlorophenyl)-4-(3-bromophenyl)-1H-pyrazol-3-amine
CID 107955139
5-(2,4-dibromophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine
CID 107955079
4-(3-bromophenyl)-5-(5-ethylfuran-2-yl)-1H-pyrazol-3-amine
CID 79096350
4-(3-bromophenyl)-5-(4-chloro-3-fluorophenyl)-1H-pyrazol-3-amine
CID 107988589
5-(3-bromo-4-methylphenyl)-4-(3-fluorophenyl)-1H-pyrazol-3-amine
CID 81460309
5-(5-bromo-2-methylphenyl)-4-(2-chlorophenyl)-1H-pyrazol-3-amine
CID 65308168
4-(3-methylphenyl)-5-(4-methylphenyl)-1H-pyrazol-3-amine
CID 62829235

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-3-methylphenyl)-4-(3-bromophenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(2-bromo-3-methylphenyl)-4-(3-bromophenyl)-1H-pyrazol-3-amine (CID 107982716) is 5-(2-bromo-3-methylphenyl)-4-(3-bromophenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2-bromo-3-methylphenyl)-4-(3-bromophenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2-bromo-3-methylphenyl)-4-(3-bromophenyl)-1H-pyrazol-3-amine is Cc1cccc(-c2[nH]nc(N)c2-c2cccc(Br)c2)c1Br.
What is the InChIKey of 5-(2-bromo-3-methylphenyl)-4-(3-bromophenyl)-1H-pyrazol-3-amine?
The InChIKey is AXWBVXGLVXUMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Br2N3/c1-9-4-2-7-12(14(9)18)15-13(16(19)21-20-15)10-5-3-6-11(17)8-10/h2-8H,1H3,(H3,19,20,21).
What are the key properties of 5-(2-bromo-3-methylphenyl)-4-(3-bromophenyl)-1H-pyrazol-3-amine?
5-(2-bromo-3-methylphenyl)-4-(3-bromophenyl)-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-bromo-3-methylphenyl)-4-(3-bromophenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 107982716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).