N-[[5-(4-bromothiophen-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine

C10H12BrN3S — CID 107355493

IUPACN-[[5-(4-bromothiophen-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn[nH]c1-c1cc(Br)cs1
InChIInChI=1S/C10H12BrN3S/c1-2-12-4-7-5-13-14-10(7)9-3-8(11)6-15-9/h3,5-6,12H,2,4H2,1H3,(H,13,14)
InChIKeyPSVXNUMLPRUMIS-UHFFFAOYSA-N
MW286.20 g/mol
LogP3.01
Rot. Bonds4

About N-[[5-(4-bromothiophen-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine

N-[[5-(4-bromothiophen-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine (PubChem CID 107355493) has the molecular formula C10H12BrN3S and a molecular weight of 286.20 g/mol. Its IUPAC name is N-[[5-(4-bromothiophen-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(4-bromothiophen-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine
PubChem CID107355493
Molecular FormulaC10H12BrN3S
Molecular Weight286.20 g/mol
Exact Mass284.99
IUPAC NameN-[[5-(4-bromothiophen-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn[nH]c1-c1cc(Br)cs1
InChIInChI=1S/C10H12BrN3S/c1-2-12-4-7-5-13-14-10(7)9-3-8(11)6-15-9/h3,5-6,12H,2,4H2,1H3,(H,13,14)
InChIKeyPSVXNUMLPRUMIS-UHFFFAOYSA-N
XLogP3.01
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(3-thiophenyl)-2-propanamine
CID 16190435
N-[(4-bromothiophen-2-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43435425
2-phenyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 6625276
N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 6625363
1-(4-fluorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 17446639
n-((3-(Thiophen-2-yl)-1h-pyrazol-4-yl)methyl)propan-1-amine
CID 25479412
1-cyclopropyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 37798213
2-N,2-N,2-trimethyl-1-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propane-1,2-diamine
CID 43233188
1-propan-2-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperidin-4-amine
CID 43233297
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 43435361
1-(3-fluorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 43773038
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-thiophen-2-ylmethanamine
CID 45801191

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromothiophen-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(4-bromothiophen-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine (CID 107355493) is N-[[5-(4-bromothiophen-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(4-bromothiophen-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(4-bromothiophen-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine is CCNCc1cn[nH]c1-c1cc(Br)cs1.
What is the InChIKey of N-[[5-(4-bromothiophen-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine?
The InChIKey is PSVXNUMLPRUMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3S/c1-2-12-4-7-5-13-14-10(7)9-3-8(11)6-15-9/h3,5-6,12H,2,4H2,1H3,(H,13,14).
What are the key properties of N-[[5-(4-bromothiophen-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine?
N-[[5-(4-bromothiophen-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine has a molecular weight of 286.20 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-bromothiophen-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 107355493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).