4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-amine

C11H12BrN3 — CID 4715088

IUPAC4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-amine
SMILESCc1ccc(Cn2cc(Br)c(N)n2)cc1
InChIInChI=1S/C11H12BrN3/c1-8-2-4-9(5-3-8)6-15-7-10(12)11(13)14-15/h2-5,7H,6H2,1H3,(H2,13,14)
InChIKeyWAMZSABHPPNJRM-UHFFFAOYSA-N
MW266.14 g/mol
LogP2.58
Rot. Bonds2

About 4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-amine

4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-amine (PubChem CID 4715088) has the molecular formula C11H12BrN3 and a molecular weight of 266.14 g/mol. Its IUPAC name is 4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-amine
PubChem CID4715088
Molecular FormulaC11H12BrN3
Molecular Weight266.14 g/mol
Exact Mass265.02
IUPAC Name4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-amine
SMILESCc1ccc(Cn2cc(Br)c(N)n2)cc1
InChIInChI=1S/C11H12BrN3/c1-8-2-4-9(5-3-8)6-15-7-10(12)11(13)14-15/h2-5,7H,6H2,1H3,(H2,13,14)
InChIKeyWAMZSABHPPNJRM-UHFFFAOYSA-N
XLogP2.58
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-amine?
The IUPAC name of 4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-amine (CID 4715088) is 4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-amine.
What is the SMILES notation for 4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-amine?
The canonical SMILES for 4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-amine is Cc1ccc(Cn2cc(Br)c(N)n2)cc1.
What is the InChIKey of 4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-amine?
The InChIKey is WAMZSABHPPNJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3/c1-8-2-4-9(5-3-8)6-15-7-10(12)11(13)14-15/h2-5,7H,6H2,1H3,(H2,13,14).
What are the key properties of 4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-amine?
4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-amine has a molecular weight of 266.14 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-amine is sourced from PubChem (CID 4715088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).