5-[[(4-bromothiophen-2-yl)-methylamino]methyl]-1H-pyrazol-3-amine

C9H11BrN4S — CID 117038672

IUPAC5-[[(4-bromothiophen-2-yl)-methylamino]methyl]-1H-pyrazol-3-amine
SMILESCN(Cc1cc(N)n[nH]1)c1cc(Br)cs1
InChIInChI=1S/C9H11BrN4S/c1-14(9-2-6(10)5-15-9)4-7-3-8(11)13-12-7/h2-3,5H,4H2,1H3,(H3,11,12,13)
InChIKeyNOYUBLQAAXNPSI-UHFFFAOYSA-N
MW287.19 g/mol
LogP2.45
Rot. Bonds3

About 5-[[(4-bromothiophen-2-yl)-methylamino]methyl]-1H-pyrazol-3-amine

5-[[(4-bromothiophen-2-yl)-methylamino]methyl]-1H-pyrazol-3-amine (PubChem CID 117038672) has the molecular formula C9H11BrN4S and a molecular weight of 287.19 g/mol. Its IUPAC name is 5-[[(4-bromothiophen-2-yl)-methylamino]methyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[[(4-bromothiophen-2-yl)-methylamino]methyl]-1H-pyrazol-3-amine
PubChem CID117038672
Molecular FormulaC9H11BrN4S
Molecular Weight287.19 g/mol
Exact Mass285.99
IUPAC Name5-[[(4-bromothiophen-2-yl)-methylamino]methyl]-1H-pyrazol-3-amine
SMILESCN(Cc1cc(N)n[nH]1)c1cc(Br)cs1
InChIInChI=1S/C9H11BrN4S/c1-14(9-2-6(10)5-15-9)4-7-3-8(11)13-12-7/h2-3,5H,4H2,1H3,(H3,11,12,13)
InChIKeyNOYUBLQAAXNPSI-UHFFFAOYSA-N
XLogP2.45
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[methyl(propan-2-yl)amino]methyl]-1H-pyrazol-3-amine
CID 117038615
4-bromo-N-ethyl-N-methylthiophen-2-amine
CID 115259321
5-[(N,2,5-trimethylanilino)methyl]-1H-pyrazol-3-amine
CID 117038622
5-(4-bromothiophen-2-yl)-1H-pyrazol-3-amine
CID 82478306
5-[(N-methyl-4-propan-2-yloxyanilino)methyl]-1H-pyrazol-3-amine
CID 117038662
5-[[methyl(pentyl)amino]methyl]-1H-pyrazol-3-amine
CID 117038793
5-[[methyl-(6-methyl-1,3-benzodioxol-5-yl)amino]methyl]-1H-pyrazol-3-amine
CID 117038706
5-[[3,3-dimethylbutyl(methyl)amino]methyl]-1H-pyrazol-3-amine
CID 117038795
5-[[cyclobutylmethyl(methyl)amino]methyl]-1H-pyrazol-3-amine
CID 117038791
1-amino-3-[(4-bromothiophen-2-yl)-methylamino]propan-2-ol
CID 115121258
5-(aminomethyl)-1H-pyrazol-3-amine
CID 83845336
5-bromo-1H-pyrazol-3-amine;5-methyl-1H-pyrazol-3-amine
CID 159722971

Frequently Asked Questions

What is the IUPAC name of 5-[[(4-bromothiophen-2-yl)-methylamino]methyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[[(4-bromothiophen-2-yl)-methylamino]methyl]-1H-pyrazol-3-amine (CID 117038672) is 5-[[(4-bromothiophen-2-yl)-methylamino]methyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[[(4-bromothiophen-2-yl)-methylamino]methyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[[(4-bromothiophen-2-yl)-methylamino]methyl]-1H-pyrazol-3-amine is CN(Cc1cc(N)n[nH]1)c1cc(Br)cs1.
What is the InChIKey of 5-[[(4-bromothiophen-2-yl)-methylamino]methyl]-1H-pyrazol-3-amine?
The InChIKey is NOYUBLQAAXNPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN4S/c1-14(9-2-6(10)5-15-9)4-7-3-8(11)13-12-7/h2-3,5H,4H2,1H3,(H3,11,12,13).
What are the key properties of 5-[[(4-bromothiophen-2-yl)-methylamino]methyl]-1H-pyrazol-3-amine?
5-[[(4-bromothiophen-2-yl)-methylamino]methyl]-1H-pyrazol-3-amine has a molecular weight of 287.19 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-bromothiophen-2-yl)-methylamino]methyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 117038672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).