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

C9H10BrN3S — CID 130949120

IUPACN-[(2-bromothiophen-3-yl)methyl]-1-methylpyrazol-4-amine
SMILESCn1cc(NCc2ccsc2Br)cn1
InChIInChI=1S/C9H10BrN3S/c1-13-6-8(5-12-13)11-4-7-2-3-14-9(7)10/h2-3,5-6,11H,4H2,1H3
InChIKeyGQCZUCIHVJKPDX-UHFFFAOYSA-N
MW272.17 g/mol
LogP2.86
Rot. Bonds3

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

N-[(2-bromothiophen-3-yl)methyl]-1-methylpyrazol-4-amine (PubChem CID 130949120) has the molecular formula C9H10BrN3S and a molecular weight of 272.17 g/mol. Its IUPAC name is N-[(2-bromothiophen-3-yl)methyl]-1-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(2-bromothiophen-3-yl)methyl]-1-methylpyrazol-4-amine
PubChem CID130949120
Molecular FormulaC9H10BrN3S
Molecular Weight272.17 g/mol
Exact Mass270.98
IUPAC NameN-[(2-bromothiophen-3-yl)methyl]-1-methylpyrazol-4-amine
SMILESCn1cc(NCc2ccsc2Br)cn1
InChIInChI=1S/C9H10BrN3S/c1-13-6-8(5-12-13)11-4-7-2-3-14-9(7)10/h2-3,5-6,11H,4H2,1H3
InChIKeyGQCZUCIHVJKPDX-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-[(2-bromothiophen-3-yl)methyl]-1-methylpyrazol-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-[(2-bromothiophen-3-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 167858795
N-[(2-bromo-4-methylphenyl)methyl]-1-methylpyrazol-4-amine
CID 115556752
N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-methylpyrazol-4-amine
CID 43534717
4-[[(1-methylpyrazol-4-yl)amino]methyl]benzene-1,2,3-triol
CID 103953341
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-methylpyrazol-4-amine
CID 43776617
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-4-amine;hydrochloride
CID 126963966
N-[(3-bromo-2,6-difluorophenyl)methyl]-1-methylpyrazol-4-amine
CID 106263562
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-methylpyrazol-4-amine
CID 78921412
N-[(2-bromothiophen-3-yl)methyl]pyrimidin-2-amine
CID 130670486
N-(isoquinolin-4-ylmethyl)-1-methylpyrazol-4-amine
CID 112702946
N-[(2-ethoxyphenyl)methyl]-1-methylpyrazol-4-amine
CID 43535024
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-1-methylpyrazol-4-amine
CID 43776644

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromothiophen-3-yl)methyl]-1-methylpyrazol-4-amine?
The IUPAC name of N-[(2-bromothiophen-3-yl)methyl]-1-methylpyrazol-4-amine (CID 130949120) is N-[(2-bromothiophen-3-yl)methyl]-1-methylpyrazol-4-amine.
What is the SMILES notation for N-[(2-bromothiophen-3-yl)methyl]-1-methylpyrazol-4-amine?
The canonical SMILES for N-[(2-bromothiophen-3-yl)methyl]-1-methylpyrazol-4-amine is Cn1cc(NCc2ccsc2Br)cn1.
What is the InChIKey of N-[(2-bromothiophen-3-yl)methyl]-1-methylpyrazol-4-amine?
The InChIKey is GQCZUCIHVJKPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3S/c1-13-6-8(5-12-13)11-4-7-2-3-14-9(7)10/h2-3,5-6,11H,4H2,1H3.
What are the key properties of N-[(2-bromothiophen-3-yl)methyl]-1-methylpyrazol-4-amine?
N-[(2-bromothiophen-3-yl)methyl]-1-methylpyrazol-4-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-[(2-bromothiophen-3-yl)methyl]-1-methylpyrazol-4-amine is sourced from PubChem (CID 130949120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).