3-(2-bromo-5-methylphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine

C15H20BrN3 — CID 81110742

IUPAC3-(2-bromo-5-methylphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine
SMILESCc1ccc(Br)c(-c2nn(C)c(N)c2CC(C)C)c1
InChIInChI=1S/C15H20BrN3/c1-9(2)7-12-14(18-19(4)15(12)17)11-8-10(3)5-6-13(11)16/h5-6,8-9H,7,17H2,1-4H3
InChIKeyTYQODXPNIACCCD-UHFFFAOYSA-N
MW322.25 g/mol
LogP3.94
Rot. Bonds3

About 3-(2-bromo-5-methylphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine

3-(2-bromo-5-methylphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine (PubChem CID 81110742) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is 3-(2-bromo-5-methylphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine.

Molecular Properties

Compound Name3-(2-bromo-5-methylphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine
PubChem CID81110742
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC Name3-(2-bromo-5-methylphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine
SMILESCc1ccc(Br)c(-c2nn(C)c(N)c2CC(C)C)c1
InChIInChI=1S/C15H20BrN3/c1-9(2)7-12-14(18-19(4)15(12)17)11-8-10(3)5-6-13(11)16/h5-6,8-9H,7,17H2,1-4H3
InChIKeyTYQODXPNIACCCD-UHFFFAOYSA-N
XLogP3.94
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-5-methylphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine?
The IUPAC name of 3-(2-bromo-5-methylphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine (CID 81110742) is 3-(2-bromo-5-methylphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine.
What is the SMILES notation for 3-(2-bromo-5-methylphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine?
The canonical SMILES for 3-(2-bromo-5-methylphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine is Cc1ccc(Br)c(-c2nn(C)c(N)c2CC(C)C)c1.
What is the InChIKey of 3-(2-bromo-5-methylphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine?
The InChIKey is TYQODXPNIACCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-9(2)7-12-14(18-19(4)15(12)17)11-8-10(3)5-6-13(11)16/h5-6,8-9H,7,17H2,1-4H3.
What are the key properties of 3-(2-bromo-5-methylphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine?
3-(2-bromo-5-methylphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine has a molecular weight of 322.25 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-5-methylphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine is sourced from PubChem (CID 81110742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).