N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine

C15H22BrN3S — CID 107557701

IUPACN-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine
SMILESCc1nn(Cc2ccc(CNC(C)(C)C)s2)c(C)c1Br
InChIInChI=1S/C15H22BrN3S/c1-10-14(16)11(2)19(18-10)9-13-7-6-12(20-13)8-17-15(3,4)5/h6-7,17H,8-9H2,1-5H3
InChIKeyIWIBVJFSNOSXRW-UHFFFAOYSA-N
MW356.33 g/mol
LogP4.26
Rot. Bonds4

About N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine

N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 107557701) has the molecular formula C15H22BrN3S and a molecular weight of 356.33 g/mol. Its IUPAC name is N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID107557701
Molecular FormulaC15H22BrN3S
Molecular Weight356.33 g/mol
Exact Mass355.07
IUPAC NameN-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine
SMILESCc1nn(Cc2ccc(CNC(C)(C)C)s2)c(C)c1Br
InChIInChI=1S/C15H22BrN3S/c1-10-14(16)11(2)19(18-10)9-13-7-6-12(20-13)8-17-15(3,4)5/h6-7,17H,8-9H2,1-5H3
InChIKeyIWIBVJFSNOSXRW-UHFFFAOYSA-N
XLogP4.26
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-2-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 N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine (CID 107557701) is N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine is Cc1nn(Cc2ccc(CNC(C)(C)C)s2)c(C)c1Br.
What is the InChIKey of N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is IWIBVJFSNOSXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3S/c1-10-14(16)11(2)19(18-10)9-13-7-6-12(20-13)8-17-15(3,4)5/h6-7,17H,8-9H2,1-5H3.
What are the key properties of N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine?
N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 356.33 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107557701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).