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

C10H9BrClN3 — CID 107988567

IUPAC5-(3-bromo-4-chlorophenyl)-4-methyl-1H-pyrazol-3-amine
SMILESCc1c(N)n[nH]c1-c1ccc(Cl)c(Br)c1
InChIInChI=1S/C10H9BrClN3/c1-5-9(14-15-10(5)13)6-2-3-8(12)7(11)4-6/h2-4H,1H3,(H3,13,14,15)
InChIKeyRIOJOJYPRGHXOO-UHFFFAOYSA-N
MW286.56 g/mol
LogP3.38
Rot. Bonds1

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

5-(3-bromo-4-chlorophenyl)-4-methyl-1H-pyrazol-3-amine (PubChem CID 107988567) has the molecular formula C10H9BrClN3 and a molecular weight of 286.56 g/mol. Its IUPAC name is 5-(3-bromo-4-chlorophenyl)-4-methyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3-bromo-4-chlorophenyl)-4-methyl-1H-pyrazol-3-amine
PubChem CID107988567
Molecular FormulaC10H9BrClN3
Molecular Weight286.56 g/mol
Exact Mass284.97
IUPAC Name5-(3-bromo-4-chlorophenyl)-4-methyl-1H-pyrazol-3-amine
SMILESCc1c(N)n[nH]c1-c1ccc(Cl)c(Br)c1
InChIInChI=1S/C10H9BrClN3/c1-5-9(14-15-10(5)13)6-2-3-8(12)7(11)4-6/h2-4H,1H3,(H3,13,14,15)
InChIKeyRIOJOJYPRGHXOO-UHFFFAOYSA-N
XLogP3.38
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.56
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-4-chlorophenyl)-4-methyl-1H-pyrazol-3-amine?
The IUPAC name of 5-(3-bromo-4-chlorophenyl)-4-methyl-1H-pyrazol-3-amine (CID 107988567) is 5-(3-bromo-4-chlorophenyl)-4-methyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3-bromo-4-chlorophenyl)-4-methyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3-bromo-4-chlorophenyl)-4-methyl-1H-pyrazol-3-amine is Cc1c(N)n[nH]c1-c1ccc(Cl)c(Br)c1.
What is the InChIKey of 5-(3-bromo-4-chlorophenyl)-4-methyl-1H-pyrazol-3-amine?
The InChIKey is RIOJOJYPRGHXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClN3/c1-5-9(14-15-10(5)13)6-2-3-8(12)7(11)4-6/h2-4H,1H3,(H3,13,14,15).
What are the key properties of 5-(3-bromo-4-chlorophenyl)-4-methyl-1H-pyrazol-3-amine?
5-(3-bromo-4-chlorophenyl)-4-methyl-1H-pyrazol-3-amine has a molecular weight of 286.56 g/mol, XLogP of 3.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-4-chlorophenyl)-4-methyl-1H-pyrazol-3-amine is sourced from PubChem (CID 107988567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).