4-bromo-1-(2-phenylethyl)pyrazol-3-amine

C11H12BrN3 — CID 61176750

IUPAC4-bromo-1-(2-phenylethyl)pyrazol-3-amine
SMILESNc1nn(CCc2ccccc2)cc1Br
InChIInChI=1S/C11H12BrN3/c12-10-8-15(14-11(10)13)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,13,14)
InChIKeyRHLRLRXVEJGXJI-UHFFFAOYSA-N
MW266.14 g/mol
LogP2.47
Rot. Bonds3

About 4-bromo-1-(2-phenylethyl)pyrazol-3-amine

4-bromo-1-(2-phenylethyl)pyrazol-3-amine (PubChem CID 61176750) has the molecular formula C11H12BrN3 and a molecular weight of 266.14 g/mol. Its IUPAC name is 4-bromo-1-(2-phenylethyl)pyrazol-3-amine.

Molecular Properties

Compound Name4-bromo-1-(2-phenylethyl)pyrazol-3-amine
PubChem CID61176750
Molecular FormulaC11H12BrN3
Molecular Weight266.14 g/mol
Exact Mass265.02
IUPAC Name4-bromo-1-(2-phenylethyl)pyrazol-3-amine
SMILESNc1nn(CCc2ccccc2)cc1Br
InChIInChI=1S/C11H12BrN3/c12-10-8-15(14-11(10)13)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,13,14)
InChIKeyRHLRLRXVEJGXJI-UHFFFAOYSA-N
XLogP2.47
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(2-phenylethyl)pyrazol-3-amine?
The IUPAC name of 4-bromo-1-(2-phenylethyl)pyrazol-3-amine (CID 61176750) is 4-bromo-1-(2-phenylethyl)pyrazol-3-amine.
What is the SMILES notation for 4-bromo-1-(2-phenylethyl)pyrazol-3-amine?
The canonical SMILES for 4-bromo-1-(2-phenylethyl)pyrazol-3-amine is Nc1nn(CCc2ccccc2)cc1Br.
What is the InChIKey of 4-bromo-1-(2-phenylethyl)pyrazol-3-amine?
The InChIKey is RHLRLRXVEJGXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3/c12-10-8-15(14-11(10)13)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,13,14).
What are the key properties of 4-bromo-1-(2-phenylethyl)pyrazol-3-amine?
4-bromo-1-(2-phenylethyl)pyrazol-3-amine has a molecular weight of 266.14 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(2-phenylethyl)pyrazol-3-amine is sourced from PubChem (CID 61176750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).