N-[(5-bromothiophen-3-yl)methyl]-2-pyrazol-1-ylethanamine

C10H12BrN3S — CID 56828835

IUPACN-[(5-bromothiophen-3-yl)methyl]-2-pyrazol-1-ylethanamine
SMILESBrc1cc(CNCCn2cccn2)cs1
InChIInChI=1S/C10H12BrN3S/c11-10-6-9(8-15-10)7-12-3-5-14-4-1-2-13-14/h1-2,4,6,8,12H,3,5,7H2
InChIKeyAGIJFEYVHUMVMW-UHFFFAOYSA-N
MW286.20 g/mol
LogP2.50
Rot. Bonds5

About N-[(5-bromothiophen-3-yl)methyl]-2-pyrazol-1-ylethanamine

N-[(5-bromothiophen-3-yl)methyl]-2-pyrazol-1-ylethanamine (PubChem CID 56828835) has the molecular formula C10H12BrN3S and a molecular weight of 286.20 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-2-pyrazol-1-ylethanamine.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-2-pyrazol-1-ylethanamine
PubChem CID56828835
Molecular FormulaC10H12BrN3S
Molecular Weight286.20 g/mol
Exact Mass284.99
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-2-pyrazol-1-ylethanamine
SMILESBrc1cc(CNCCn2cccn2)cs1
InChIInChI=1S/C10H12BrN3S/c11-10-6-9(8-15-10)7-12-3-5-14-4-1-2-13-14/h1-2,4,6,8,12H,3,5,7H2
InChIKeyAGIJFEYVHUMVMW-UHFFFAOYSA-N
XLogP2.50
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,2-difluoroethyl)-N-(thiophen-3-ylmethyl)pyrazol-4-amine
CID 115742598
5-bromo-N-(3-pyrazol-1-ylpropyl)thiophene-3-carboxamide
CID 37392303
5-bromo-N-(1-pyrazol-1-ylpropan-2-yl)thiophene-3-carboxamide
CID 45818503
N-methyl-3-(1H-pyrazol-1-yl)-N-(3-thienylmethyl)propan-1-amine
CID 50967142
1-(Thiophen-3-ylmethyl)pyrazole
CID 63812394
1-[(5-Bromothiophen-3-yl)methyl]pyrazole
CID 131201578
(2-Pyrazol-1-ylthiophen-3-yl)methanamine
CID 146189770
N-[(1-methylpyrazol-4-yl)methyl]thiophen-2-amine
CID 174903168
N-[(1-methylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine
CID 19626483
N-[(1-ethylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine
CID 19626496
N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine
CID 19626509
N-[(1-ethylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine
CID 19626548

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-2-pyrazol-1-ylethanamine?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-2-pyrazol-1-ylethanamine (CID 56828835) is N-[(5-bromothiophen-3-yl)methyl]-2-pyrazol-1-ylethanamine.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-2-pyrazol-1-ylethanamine?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-2-pyrazol-1-ylethanamine is Brc1cc(CNCCn2cccn2)cs1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-2-pyrazol-1-ylethanamine?
The InChIKey is AGIJFEYVHUMVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3S/c11-10-6-9(8-15-10)7-12-3-5-14-4-1-2-13-14/h1-2,4,6,8,12H,3,5,7H2.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-2-pyrazol-1-ylethanamine?
N-[(5-bromothiophen-3-yl)methyl]-2-pyrazol-1-ylethanamine has a molecular weight of 286.20 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-2-pyrazol-1-ylethanamine is sourced from PubChem (CID 56828835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).