3-(3-bromophenyl)-1-[(4-chlorophenyl)methyl]pyrazol-5-amine

C16H13BrClN3 — CID 1108068

IUPAC3-(3-bromophenyl)-1-[(4-chlorophenyl)methyl]pyrazol-5-amine
SMILESNc1cc(-c2cccc(Br)c2)nn1Cc1ccc(Cl)cc1
InChIInChI=1S/C16H13BrClN3/c17-13-3-1-2-12(8-13)15-9-16(19)21(20-15)10-11-4-6-14(18)7-5-11/h1-9H,10,19H2
InChIKeyYAGLBODWCINYSH-UHFFFAOYSA-N
MW362.66 g/mol
LogP4.60
Rot. Bonds3

About 3-(3-bromophenyl)-1-[(4-chlorophenyl)methyl]pyrazol-5-amine

3-(3-bromophenyl)-1-[(4-chlorophenyl)methyl]pyrazol-5-amine (PubChem CID 1108068) has the molecular formula C16H13BrClN3 and a molecular weight of 362.66 g/mol. Its IUPAC name is 3-(3-bromophenyl)-1-[(4-chlorophenyl)methyl]pyrazol-5-amine.

Molecular Properties

Compound Name3-(3-bromophenyl)-1-[(4-chlorophenyl)methyl]pyrazol-5-amine
PubChem CID1108068
Molecular FormulaC16H13BrClN3
Molecular Weight362.66 g/mol
Exact Mass361.00
IUPAC Name3-(3-bromophenyl)-1-[(4-chlorophenyl)methyl]pyrazol-5-amine
SMILESNc1cc(-c2cccc(Br)c2)nn1Cc1ccc(Cl)cc1
InChIInChI=1S/C16H13BrClN3/c17-13-3-1-2-12(8-13)15-9-16(19)21(20-15)10-11-4-6-14(18)7-5-11/h1-9H,10,19H2
InChIKeyYAGLBODWCINYSH-UHFFFAOYSA-N
XLogP4.60
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.66
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-1-[(4-chlorophenyl)methyl]pyrazol-5-amine?
The IUPAC name of 3-(3-bromophenyl)-1-[(4-chlorophenyl)methyl]pyrazol-5-amine (CID 1108068) is 3-(3-bromophenyl)-1-[(4-chlorophenyl)methyl]pyrazol-5-amine.
What is the SMILES notation for 3-(3-bromophenyl)-1-[(4-chlorophenyl)methyl]pyrazol-5-amine?
The canonical SMILES for 3-(3-bromophenyl)-1-[(4-chlorophenyl)methyl]pyrazol-5-amine is Nc1cc(-c2cccc(Br)c2)nn1Cc1ccc(Cl)cc1.
What is the InChIKey of 3-(3-bromophenyl)-1-[(4-chlorophenyl)methyl]pyrazol-5-amine?
The InChIKey is YAGLBODWCINYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClN3/c17-13-3-1-2-12(8-13)15-9-16(19)21(20-15)10-11-4-6-14(18)7-5-11/h1-9H,10,19H2.
What are the key properties of 3-(3-bromophenyl)-1-[(4-chlorophenyl)methyl]pyrazol-5-amine?
3-(3-bromophenyl)-1-[(4-chlorophenyl)methyl]pyrazol-5-amine has a molecular weight of 362.66 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-1-[(4-chlorophenyl)methyl]pyrazol-5-amine is sourced from PubChem (CID 1108068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).