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

C9H10BrN3S — CID 43534759

IUPACN-[(4-bromothiophen-2-yl)methyl]-1-methylpyrazol-4-amine
SMILESCn1cc(NCc2cc(Br)cs2)cn1
InChIInChI=1S/C9H10BrN3S/c1-13-5-8(3-12-13)11-4-9-2-7(10)6-14-9/h2-3,5-6,11H,4H2,1H3
InChIKeyJGJGTKBEMWQUNJ-UHFFFAOYSA-N
MW272.17 g/mol
LogP2.86
Rot. Bonds3

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

N-[(4-bromothiophen-2-yl)methyl]-1-methylpyrazol-4-amine (PubChem CID 43534759) 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-4-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-1-methylpyrazol-4-amine
PubChem CID43534759
Molecular FormulaC9H10BrN3S
Molecular Weight272.17 g/mol
Exact Mass270.98
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-1-methylpyrazol-4-amine
SMILESCn1cc(NCc2cc(Br)cs2)cn1
InChIInChI=1S/C9H10BrN3S/c1-13-5-8(3-12-13)11-4-9-2-7(10)6-14-9/h2-3,5-6,11H,4H2,1H3
InChIKeyJGJGTKBEMWQUNJ-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

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Related Compounds

1-(4-methylpyrazol-1-yl)-N-(2-thiophen-2-ylethyl)propan-2-amine
CID 53617924
N-[1-(5-bromothiophen-2-yl)ethyl]-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 84588265
n-((3-Methylthiophen-2-yl)methyl)-2-(1h-pyrazol-1-yl)ethan-1-amine
CID 53533966
3-pyrazol-1-yl-N-(2-thiophen-2-ylethyl)butan-2-amine
CID 53620199
2-(4-methylpyrazol-1-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 53623601
1-[(4-Bromothiophen-2-yl)methyl]-3-(trifluoromethyl)pyrazole
CID 55207856
2-(4-Bromothiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine
CID 61631284
2-(5-Bromothiophen-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine
CID 61631329
1-(4-Bromothiophen-2-yl)-1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine
CID 61631330
1-(5-Bromothiophen-2-yl)-1-[3-(trifluoromethyl)pyrazol-1-yl]butan-2-amine
CID 61631520
1-(4-Bromothiophen-2-yl)-1-[3-(trifluoromethyl)pyrazol-1-yl]butan-2-amine
CID 61631521
1-(5-Bromothiophen-2-yl)-1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine
CID 61631869

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-1-methylpyrazol-4-amine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-1-methylpyrazol-4-amine (CID 43534759) is N-[(4-bromothiophen-2-yl)methyl]-1-methylpyrazol-4-amine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-1-methylpyrazol-4-amine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-1-methylpyrazol-4-amine is Cn1cc(NCc2cc(Br)cs2)cn1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-1-methylpyrazol-4-amine?
The InChIKey is JGJGTKBEMWQUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3S/c1-13-5-8(3-12-13)11-4-9-2-7(10)6-14-9/h2-3,5-6,11H,4H2,1H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-1-methylpyrazol-4-amine?
N-[(4-bromothiophen-2-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-[(4-bromothiophen-2-yl)methyl]-1-methylpyrazol-4-amine is sourced from PubChem (CID 43534759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).