4-bromo-5-methyl-1-propan-2-ylpyrazol-3-amine

C7H12BrN3 — CID 19619864

IUPAC4-bromo-5-methyl-1-propan-2-ylpyrazol-3-amine
SMILESCc1c(Br)c(N)nn1C(C)C
InChIInChI=1S/C7H12BrN3/c1-4(2)11-5(3)6(8)7(9)10-11/h4H,1-3H3,(H2,9,10)
InChIKeyNIYLRNWDDJDJMI-UHFFFAOYSA-N
MW218.10 g/mol
LogP2.12
Rot. Bonds1

About 4-bromo-5-methyl-1-propan-2-ylpyrazol-3-amine

4-bromo-5-methyl-1-propan-2-ylpyrazol-3-amine (PubChem CID 19619864) has the molecular formula C7H12BrN3 and a molecular weight of 218.10 g/mol. Its IUPAC name is 4-bromo-5-methyl-1-propan-2-ylpyrazol-3-amine.

Molecular Properties

Compound Name4-bromo-5-methyl-1-propan-2-ylpyrazol-3-amine
PubChem CID19619864
Molecular FormulaC7H12BrN3
Molecular Weight218.10 g/mol
Exact Mass217.02
IUPAC Name4-bromo-5-methyl-1-propan-2-ylpyrazol-3-amine
SMILESCc1c(Br)c(N)nn1C(C)C
InChIInChI=1S/C7H12BrN3/c1-4(2)11-5(3)6(8)7(9)10-11/h4H,1-3H3,(H2,9,10)
InChIKeyNIYLRNWDDJDJMI-UHFFFAOYSA-N
XLogP2.12
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.10
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-5-methyl-1-propan-2-ylpyrazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-methyl-1-propan-2-ylpyrazol-3-amine?
The IUPAC name of 4-bromo-5-methyl-1-propan-2-ylpyrazol-3-amine (CID 19619864) is 4-bromo-5-methyl-1-propan-2-ylpyrazol-3-amine.
What is the SMILES notation for 4-bromo-5-methyl-1-propan-2-ylpyrazol-3-amine?
The canonical SMILES for 4-bromo-5-methyl-1-propan-2-ylpyrazol-3-amine is Cc1c(Br)c(N)nn1C(C)C.
What is the InChIKey of 4-bromo-5-methyl-1-propan-2-ylpyrazol-3-amine?
The InChIKey is NIYLRNWDDJDJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrN3/c1-4(2)11-5(3)6(8)7(9)10-11/h4H,1-3H3,(H2,9,10).
What are the key properties of 4-bromo-5-methyl-1-propan-2-ylpyrazol-3-amine?
4-bromo-5-methyl-1-propan-2-ylpyrazol-3-amine has a molecular weight of 218.10 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-methyl-1-propan-2-ylpyrazol-3-amine is sourced from PubChem (CID 19619864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).