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

C14H11Br2N3S — CID 107962560

IUPAC5-(2,5-dibromothiophen-3-yl)-4-(2-methylphenyl)-1H-pyrazol-3-amine
SMILESCc1ccccc1-c1c(N)n[nH]c1-c1cc(Br)sc1Br
InChIInChI=1S/C14H11Br2N3S/c1-7-4-2-3-5-8(7)11-12(18-19-14(11)17)9-6-10(15)20-13(9)16/h2-6H,1H3,(H3,17,18,19)
InChIKeySIBKQNLCUODWOM-UHFFFAOYSA-N
MW413.14 g/mol
LogP5.22
Rot. Bonds2

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

5-(2,5-dibromothiophen-3-yl)-4-(2-methylphenyl)-1H-pyrazol-3-amine (PubChem CID 107962560) has the molecular formula C14H11Br2N3S and a molecular weight of 413.14 g/mol. Its IUPAC name is 5-(2,5-dibromothiophen-3-yl)-4-(2-methylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2,5-dibromothiophen-3-yl)-4-(2-methylphenyl)-1H-pyrazol-3-amine
PubChem CID107962560
Molecular FormulaC14H11Br2N3S
Molecular Weight413.14 g/mol
Exact Mass410.90
IUPAC Name5-(2,5-dibromothiophen-3-yl)-4-(2-methylphenyl)-1H-pyrazol-3-amine
SMILESCc1ccccc1-c1c(N)n[nH]c1-c1cc(Br)sc1Br
InChIInChI=1S/C14H11Br2N3S/c1-7-4-2-3-5-8(7)11-12(18-19-14(11)17)9-6-10(15)20-13(9)16/h2-6H,1H3,(H3,17,18,19)
InChIKeySIBKQNLCUODWOM-UHFFFAOYSA-N
XLogP5.22
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.14
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,5-dibromothiophen-3-yl)-4-(2-methoxyphenyl)-1H-pyrazol-3-amine
CID 107962588
5-(2,4-dibromophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine
CID 107955079
5-(2,5-dibromothiophen-3-yl)-4-(2-methylphenyl)-1,2-oxazol-3-amine
CID 107967130
5-(4,5-dimethylthiophen-2-yl)-4-(2-methylphenyl)-1H-pyrazol-3-amine
CID 65238808
5-(2,3-difluorophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine
CID 62648782
5-(5-bromo-2-methylphenyl)-4-(2-chlorophenyl)-1H-pyrazol-3-amine
CID 65308168
4-(2-bromophenyl)-5-(2,4-dimethylphenyl)-1H-pyrazol-3-amine
CID 62829643
5-(3-chloro-2-fluorophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine
CID 81266285
5-(3-chloro-5-methylphenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine
CID 81316434
5-(2-methylphenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine
CID 80521126
5-(5-fluoro-3-pyridinyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine
CID 104785937
5-(5-bromo-4-methylthiophen-2-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine
CID 80521102

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dibromothiophen-3-yl)-4-(2-methylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(2,5-dibromothiophen-3-yl)-4-(2-methylphenyl)-1H-pyrazol-3-amine (CID 107962560) is 5-(2,5-dibromothiophen-3-yl)-4-(2-methylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2,5-dibromothiophen-3-yl)-4-(2-methylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2,5-dibromothiophen-3-yl)-4-(2-methylphenyl)-1H-pyrazol-3-amine is Cc1ccccc1-c1c(N)n[nH]c1-c1cc(Br)sc1Br.
What is the InChIKey of 5-(2,5-dibromothiophen-3-yl)-4-(2-methylphenyl)-1H-pyrazol-3-amine?
The InChIKey is SIBKQNLCUODWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2N3S/c1-7-4-2-3-5-8(7)11-12(18-19-14(11)17)9-6-10(15)20-13(9)16/h2-6H,1H3,(H3,17,18,19).
What are the key properties of 5-(2,5-dibromothiophen-3-yl)-4-(2-methylphenyl)-1H-pyrazol-3-amine?
5-(2,5-dibromothiophen-3-yl)-4-(2-methylphenyl)-1H-pyrazol-3-amine has a molecular weight of 413.14 g/mol, XLogP of 5.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dibromothiophen-3-yl)-4-(2-methylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 107962560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).