1-[(2-bromophenyl)methyl]-3-(2-chlorophenyl)pyrazol-4-amine

C16H13BrClN3 — CID 83203919

IUPAC1-[(2-bromophenyl)methyl]-3-(2-chlorophenyl)pyrazol-4-amine
SMILESNc1cn(Cc2ccccc2Br)nc1-c1ccccc1Cl
InChIInChI=1S/C16H13BrClN3/c17-13-7-3-1-5-11(13)9-21-10-15(19)16(20-21)12-6-2-4-8-14(12)18/h1-8,10H,9,19H2
InChIKeyBPJBEXLUNLWMIQ-UHFFFAOYSA-N
MW362.66 g/mol
LogP4.60
Rot. Bonds3

About 1-[(2-bromophenyl)methyl]-3-(2-chlorophenyl)pyrazol-4-amine

1-[(2-bromophenyl)methyl]-3-(2-chlorophenyl)pyrazol-4-amine (PubChem CID 83203919) has the molecular formula C16H13BrClN3 and a molecular weight of 362.66 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-3-(2-chlorophenyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-3-(2-chlorophenyl)pyrazol-4-amine
PubChem CID83203919
Molecular FormulaC16H13BrClN3
Molecular Weight362.66 g/mol
Exact Mass361.00
IUPAC Name1-[(2-bromophenyl)methyl]-3-(2-chlorophenyl)pyrazol-4-amine
SMILESNc1cn(Cc2ccccc2Br)nc1-c1ccccc1Cl
InChIInChI=1S/C16H13BrClN3/c17-13-7-3-1-5-11(13)9-21-10-15(19)16(20-21)12-6-2-4-8-14(12)18/h1-8,10H,9,19H2
InChIKeyBPJBEXLUNLWMIQ-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 1-[(2-bromophenyl)methyl]-3-(2-chlorophenyl)pyrazol-4-amine?
The IUPAC name of 1-[(2-bromophenyl)methyl]-3-(2-chlorophenyl)pyrazol-4-amine (CID 83203919) is 1-[(2-bromophenyl)methyl]-3-(2-chlorophenyl)pyrazol-4-amine.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-3-(2-chlorophenyl)pyrazol-4-amine?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-3-(2-chlorophenyl)pyrazol-4-amine is Nc1cn(Cc2ccccc2Br)nc1-c1ccccc1Cl.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-3-(2-chlorophenyl)pyrazol-4-amine?
The InChIKey is BPJBEXLUNLWMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClN3/c17-13-7-3-1-5-11(13)9-21-10-15(19)16(20-21)12-6-2-4-8-14(12)18/h1-8,10H,9,19H2.
What are the key properties of 1-[(2-bromophenyl)methyl]-3-(2-chlorophenyl)pyrazol-4-amine?
1-[(2-bromophenyl)methyl]-3-(2-chlorophenyl)pyrazol-4-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 1-[(2-bromophenyl)methyl]-3-(2-chlorophenyl)pyrazol-4-amine is sourced from PubChem (CID 83203919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).