1-(4-bromo-5-chlorothiophen-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine

C11H13BrClN3S — CID 103527576

IUPAC1-(4-bromo-5-chlorothiophen-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
SMILESCc1c(CNCc2cc(Br)c(Cl)s2)cnn1C
InChIInChI=1S/C11H13BrClN3S/c1-7-8(5-15-16(7)2)4-14-6-9-3-10(12)11(13)17-9/h3,5,14H,4,6H2,1-2H3
InChIKeyDDWZFOBVFVWGLJ-UHFFFAOYSA-N
MW334.67 g/mol
LogP3.50
Rot. Bonds4

About 1-(4-bromo-5-chlorothiophen-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine

1-(4-bromo-5-chlorothiophen-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine (PubChem CID 103527576) has the molecular formula C11H13BrClN3S and a molecular weight of 334.67 g/mol. Its IUPAC name is 1-(4-bromo-5-chlorothiophen-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-bromo-5-chlorothiophen-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
PubChem CID103527576
Molecular FormulaC11H13BrClN3S
Molecular Weight334.67 g/mol
Exact Mass332.97
IUPAC Name1-(4-bromo-5-chlorothiophen-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
SMILESCc1c(CNCc2cc(Br)c(Cl)s2)cnn1C
InChIInChI=1S/C11H13BrClN3S/c1-7-8(5-15-16(7)2)4-14-6-9-3-10(12)11(13)17-9/h3,5,14H,4,6H2,1-2H3
InChIKeyDDWZFOBVFVWGLJ-UHFFFAOYSA-N
XLogP3.50
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.67
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43435383
N-[(4-bromothiophen-2-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43435425
N-[1-(5-bromothiophen-2-yl)ethyl]-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 84588265
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 84588327
N-[(5-bromothiophen-2-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine;hydrochloride
CID 45887018
N-[(4-bromothiophen-2-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine;hydrochloride
CID 45887019
[(1,5-dimethyl-1H-pyrazol-4-yl)methyl][(5-fluorothiophen-2-yl)methyl]amine
CID 122165805
[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl][(5-fluorothiophen-2-yl)methyl]amine
CID 122165807
[(1,4-dimethyl-1H-pyrazol-5-yl)methyl][(5-fluorothiophen-2-yl)methyl]amine
CID 122165812
[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl][(5-fluorothiophen-2-yl)methyl]amine
CID 122165818
[(5-fluorothiophen-2-yl)methyl]({[5-methyl-1-(propan-2-yl)-1H-pyrazol-4-yl]methyl})amine
CID 122165822
[(5-fluorothiophen-2-yl)methyl][(3-methyl-1-propyl-1H-pyrazol-4-yl)methyl]amine
CID 122165823

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine (CID 103527576) is 1-(4-bromo-5-chlorothiophen-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-bromo-5-chlorothiophen-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(4-bromo-5-chlorothiophen-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine is Cc1c(CNCc2cc(Br)c(Cl)s2)cnn1C.
What is the InChIKey of 1-(4-bromo-5-chlorothiophen-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine?
The InChIKey is DDWZFOBVFVWGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClN3S/c1-7-8(5-15-16(7)2)4-14-6-9-3-10(12)11(13)17-9/h3,5,14H,4,6H2,1-2H3.
What are the key properties of 1-(4-bromo-5-chlorothiophen-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine?
1-(4-bromo-5-chlorothiophen-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine has a molecular weight of 334.67 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-chlorothiophen-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 103527576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).