N-[(4-bromothiophen-2-yl)methyl]-1-methylpyrazol-3-amine

C9H10BrN3S — CID 60810318

IUPACN-[(4-bromothiophen-2-yl)methyl]-1-methylpyrazol-3-amine
SMILESCn1ccc(NCc2cc(Br)cs2)n1
InChIInChI=1S/C9H10BrN3S/c1-13-3-2-9(12-13)11-5-8-4-7(10)6-14-8/h2-4,6H,5H2,1H3,(H,11,12)
InChIKeyJJRRCRKNOQNVOI-UHFFFAOYSA-N
MW272.17 g/mol
LogP2.86
Rot. Bonds3

About N-[(4-bromothiophen-2-yl)methyl]-1-methylpyrazol-3-amine

N-[(4-bromothiophen-2-yl)methyl]-1-methylpyrazol-3-amine (PubChem CID 60810318) has the molecular formula C9H10BrN3S and a molecular weight of 272.17 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-1-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-1-methylpyrazol-3-amine
PubChem CID60810318
Molecular FormulaC9H10BrN3S
Molecular Weight272.17 g/mol
Exact Mass270.98
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-1-methylpyrazol-3-amine
SMILESCn1ccc(NCc2cc(Br)cs2)n1
InChIInChI=1S/C9H10BrN3S/c1-13-3-2-9(12-13)11-5-8-4-7(10)6-14-8/h2-4,6H,5H2,1H3,(H,11,12)
InChIKeyJJRRCRKNOQNVOI-UHFFFAOYSA-N
XLogP2.86
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-bromothiophen-2-yl)methyl]-1-methylpyrazol-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 N-[(4-bromothiophen-2-yl)methyl]-1-methylpyrazol-3-amine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-1-methylpyrazol-3-amine (CID 60810318) is N-[(4-bromothiophen-2-yl)methyl]-1-methylpyrazol-3-amine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-1-methylpyrazol-3-amine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-1-methylpyrazol-3-amine is Cn1ccc(NCc2cc(Br)cs2)n1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-1-methylpyrazol-3-amine?
The InChIKey is JJRRCRKNOQNVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3S/c1-13-3-2-9(12-13)11-5-8-4-7(10)6-14-8/h2-4,6H,5H2,1H3,(H,11,12).
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-1-methylpyrazol-3-amine?
N-[(4-bromothiophen-2-yl)methyl]-1-methylpyrazol-3-amine has a molecular weight of 272.17 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-1-methylpyrazol-3-amine is sourced from PubChem (CID 60810318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).