2-[(3-bromo-4-chlorophenyl)methyl]pyrazol-3-amine

C10H9BrClN3 — CID 83230356

IUPAC2-[(3-bromo-4-chlorophenyl)methyl]pyrazol-3-amine
SMILESNc1ccnn1Cc1ccc(Cl)c(Br)c1
InChIInChI=1S/C10H9BrClN3/c11-8-5-7(1-2-9(8)12)6-15-10(13)3-4-14-15/h1-5H,6,13H2
InChIKeyWTCKFPHCKSKIOE-UHFFFAOYSA-N
MW286.56 g/mol
LogP2.93
Rot. Bonds2

About 2-[(3-bromo-4-chlorophenyl)methyl]pyrazol-3-amine

2-[(3-bromo-4-chlorophenyl)methyl]pyrazol-3-amine (PubChem CID 83230356) has the molecular formula C10H9BrClN3 and a molecular weight of 286.56 g/mol. Its IUPAC name is 2-[(3-bromo-4-chlorophenyl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name2-[(3-bromo-4-chlorophenyl)methyl]pyrazol-3-amine
PubChem CID83230356
Molecular FormulaC10H9BrClN3
Molecular Weight286.56 g/mol
Exact Mass284.97
IUPAC Name2-[(3-bromo-4-chlorophenyl)methyl]pyrazol-3-amine
SMILESNc1ccnn1Cc1ccc(Cl)c(Br)c1
InChIInChI=1S/C10H9BrClN3/c11-8-5-7(1-2-9(8)12)6-15-10(13)3-4-14-15/h1-5H,6,13H2
InChIKeyWTCKFPHCKSKIOE-UHFFFAOYSA-N
XLogP2.93
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.56
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-chlorophenyl)methyl]pyrazol-3-amine?
The IUPAC name of 2-[(3-bromo-4-chlorophenyl)methyl]pyrazol-3-amine (CID 83230356) is 2-[(3-bromo-4-chlorophenyl)methyl]pyrazol-3-amine.
What is the SMILES notation for 2-[(3-bromo-4-chlorophenyl)methyl]pyrazol-3-amine?
The canonical SMILES for 2-[(3-bromo-4-chlorophenyl)methyl]pyrazol-3-amine is Nc1ccnn1Cc1ccc(Cl)c(Br)c1.
What is the InChIKey of 2-[(3-bromo-4-chlorophenyl)methyl]pyrazol-3-amine?
The InChIKey is WTCKFPHCKSKIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClN3/c11-8-5-7(1-2-9(8)12)6-15-10(13)3-4-14-15/h1-5H,6,13H2.
What are the key properties of 2-[(3-bromo-4-chlorophenyl)methyl]pyrazol-3-amine?
2-[(3-bromo-4-chlorophenyl)methyl]pyrazol-3-amine has a molecular weight of 286.56 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-chlorophenyl)methyl]pyrazol-3-amine is sourced from PubChem (CID 83230356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).