1-(4,5-dibromothiophen-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine

C10H11Br2N3S — CID 102834954

IUPAC1-(4,5-dibromothiophen-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
SMILESCn1cc(CNCc2cc(Br)c(Br)s2)cn1
InChIInChI=1S/C10H11Br2N3S/c1-15-6-7(4-14-15)3-13-5-8-2-9(11)10(12)16-8/h2,4,6,13H,3,5H2,1H3
InChIKeyIOYBUMMMHFXBKS-UHFFFAOYSA-N
MW365.09 g/mol
LogP3.30
Rot. Bonds4

About 1-(4,5-dibromothiophen-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine

1-(4,5-dibromothiophen-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine (PubChem CID 102834954) has the molecular formula C10H11Br2N3S and a molecular weight of 365.09 g/mol. Its IUPAC name is 1-(4,5-dibromothiophen-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4,5-dibromothiophen-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
PubChem CID102834954
Molecular FormulaC10H11Br2N3S
Molecular Weight365.09 g/mol
Exact Mass362.90
IUPAC Name1-(4,5-dibromothiophen-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
SMILESCn1cc(CNCc2cc(Br)c(Br)s2)cn1
InChIInChI=1S/C10H11Br2N3S/c1-15-6-7(4-14-15)3-13-5-8-2-9(11)10(12)16-8/h2,4,6,13H,3,5H2,1H3
InChIKeyIOYBUMMMHFXBKS-UHFFFAOYSA-N
XLogP3.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.09
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 54979175
N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride
CID 126966027
N-[(4,5-dibromothiophen-2-yl)methyl]-1-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 102836534
1-(4-chlorophenyl)-N-[(4,5-dibromothiophen-2-yl)methyl]methanamine
CID 102831355
N-[(1-methylpyrazol-4-yl)methyl]-1-(4-phenylthiophen-2-yl)methanamine
CID 61350621
N-[(1-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 126966764
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine
CID 104878846
2-bromo-6-[[(1-methylpyrazol-4-yl)methylamino]methyl]phenol
CID 61392128
1-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 61034807
4-[(4,5-dibromothiophene-2-carbonyl)amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19336835
N-[(4,5-dibromothiophen-2-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 103005329
N-[(1-methylpyrazol-4-yl)methyl]-2-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 115747364

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibromothiophen-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(4,5-dibromothiophen-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine (CID 102834954) is 1-(4,5-dibromothiophen-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(4,5-dibromothiophen-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(4,5-dibromothiophen-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine is Cn1cc(CNCc2cc(Br)c(Br)s2)cn1.
What is the InChIKey of 1-(4,5-dibromothiophen-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
The InChIKey is IOYBUMMMHFXBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2N3S/c1-15-6-7(4-14-15)3-13-5-8-2-9(11)10(12)16-8/h2,4,6,13H,3,5H2,1H3.
What are the key properties of 1-(4,5-dibromothiophen-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
1-(4,5-dibromothiophen-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine has a molecular weight of 365.09 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dibromothiophen-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 102834954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).