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

C15H10Br2ClN3 — CID 107955139

IUPAC5-(3-bromo-5-chlorophenyl)-4-(3-bromophenyl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2cc(Cl)cc(Br)c2)c1-c1cccc(Br)c1
InChIInChI=1S/C15H10Br2ClN3/c16-10-3-1-2-8(4-10)13-14(20-21-15(13)19)9-5-11(17)7-12(18)6-9/h1-7H,(H3,19,20,21)
InChIKeyZSCDBDLQTCYDGL-UHFFFAOYSA-N
MW427.53 g/mol
LogP5.50
Rot. Bonds2

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

5-(3-bromo-5-chlorophenyl)-4-(3-bromophenyl)-1H-pyrazol-3-amine (PubChem CID 107955139) has the molecular formula C15H10Br2ClN3 and a molecular weight of 427.53 g/mol. Its IUPAC name is 5-(3-bromo-5-chlorophenyl)-4-(3-bromophenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3-bromo-5-chlorophenyl)-4-(3-bromophenyl)-1H-pyrazol-3-amine
PubChem CID107955139
Molecular FormulaC15H10Br2ClN3
Molecular Weight427.53 g/mol
Exact Mass424.89
IUPAC Name5-(3-bromo-5-chlorophenyl)-4-(3-bromophenyl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2cc(Cl)cc(Br)c2)c1-c1cccc(Br)c1
InChIInChI=1S/C15H10Br2ClN3/c16-10-3-1-2-8(4-10)13-14(20-21-15(13)19)9-5-11(17)7-12(18)6-9/h1-7H,(H3,19,20,21)
InChIKeyZSCDBDLQTCYDGL-UHFFFAOYSA-N
XLogP5.50
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.53
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-bromo-5-chlorophenyl)-4-(3-fluorophenyl)-1H-pyrazol-3-amine
CID 107955102
4-(3-bromophenyl)-5-(4-chloro-3-fluorophenyl)-1H-pyrazol-3-amine
CID 107988589
4-(3-bromophenyl)-5-(2-chloro-3-fluorophenyl)-1H-pyrazol-3-amine
CID 81454272
5-(3-chlorophenyl)-4-(3,4-dichlorophenyl)-1H-pyrazol-3-amine
CID 63524514
4-(3-bromophenyl)-5-(5-methylthiophen-2-yl)-1H-pyrazol-3-amine
CID 43561020
5-(2-bromo-3-methylphenyl)-4-(3-bromophenyl)-1H-pyrazol-3-amine
CID 107982716
4-(3-bromophenyl)-5-(4-methylthiophen-3-yl)-1H-pyrazol-3-amine
CID 79802922
4-(3-chlorophenyl)-5-(4-fluoro-3-methylphenyl)-1H-pyrazol-3-amine
CID 63210614
4-(3-bromophenyl)-5-(2,4,5-trimethylfuran-3-yl)-1H-pyrazol-3-amine
CID 65153292
5-(3,5-dichlorophenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine
CID 80523682
4-(3-chlorophenyl)-5-(2,3-difluorophenyl)-1H-pyrazol-3-amine
CID 62648934
4-(3-chlorophenyl)-5-(5-methylfuran-3-yl)-1H-pyrazol-3-amine
CID 114821013

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-5-chlorophenyl)-4-(3-bromophenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(3-bromo-5-chlorophenyl)-4-(3-bromophenyl)-1H-pyrazol-3-amine (CID 107955139) is 5-(3-bromo-5-chlorophenyl)-4-(3-bromophenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3-bromo-5-chlorophenyl)-4-(3-bromophenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3-bromo-5-chlorophenyl)-4-(3-bromophenyl)-1H-pyrazol-3-amine is Nc1n[nH]c(-c2cc(Cl)cc(Br)c2)c1-c1cccc(Br)c1.
What is the InChIKey of 5-(3-bromo-5-chlorophenyl)-4-(3-bromophenyl)-1H-pyrazol-3-amine?
The InChIKey is ZSCDBDLQTCYDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2ClN3/c16-10-3-1-2-8(4-10)13-14(20-21-15(13)19)9-5-11(17)7-12(18)6-9/h1-7H,(H3,19,20,21).
What are the key properties of 5-(3-bromo-5-chlorophenyl)-4-(3-bromophenyl)-1H-pyrazol-3-amine?
5-(3-bromo-5-chlorophenyl)-4-(3-bromophenyl)-1H-pyrazol-3-amine has a molecular weight of 427.53 g/mol, XLogP of 5.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-5-chlorophenyl)-4-(3-bromophenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 107955139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).