N-[(4-bromo-1-methylpyrazol-5-yl)-thiophen-3-ylmethyl]ethanamine

C11H14BrN3S — CID 114647272

IUPACN-[(4-bromo-1-methylpyrazol-5-yl)-thiophen-3-ylmethyl]ethanamine
SMILESCCNC(c1ccsc1)c1c(Br)cnn1C
InChIInChI=1S/C11H14BrN3S/c1-3-13-10(8-4-5-16-7-8)11-9(12)6-14-15(11)2/h4-7,10,13H,3H2,1-2H3
InChIKeyFRXBSIOILJUZGK-UHFFFAOYSA-N
MW300.23 g/mol
LogP2.94
Rot. Bonds4

About N-[(4-bromo-1-methylpyrazol-5-yl)-thiophen-3-ylmethyl]ethanamine

N-[(4-bromo-1-methylpyrazol-5-yl)-thiophen-3-ylmethyl]ethanamine (PubChem CID 114647272) has the molecular formula C11H14BrN3S and a molecular weight of 300.23 g/mol. Its IUPAC name is N-[(4-bromo-1-methylpyrazol-5-yl)-thiophen-3-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-1-methylpyrazol-5-yl)-thiophen-3-ylmethyl]ethanamine
PubChem CID114647272
Molecular FormulaC11H14BrN3S
Molecular Weight300.23 g/mol
Exact Mass299.01
IUPAC NameN-[(4-bromo-1-methylpyrazol-5-yl)-thiophen-3-ylmethyl]ethanamine
SMILESCCNC(c1ccsc1)c1c(Br)cnn1C
InChIInChI=1S/C11H14BrN3S/c1-3-13-10(8-4-5-16-7-8)11-9(12)6-14-15(11)2/h4-7,10,13H,3H2,1-2H3
InChIKeyFRXBSIOILJUZGK-UHFFFAOYSA-N
XLogP2.94
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromo-3-methylphenyl)-(4-bromo-1-methylpyrazol-5-yl)methyl]ethanamine
CID 105054020
N-[(4-bromo-3,5-dimethylphenyl)-thiophen-3-ylmethyl]ethanamine
CID 114330646
N-[(4-bromo-1-methylpyrazol-5-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]ethanamine
CID 105054277
N-[(4-bromo-1-methylpyrazol-5-yl)-(3-ethoxyphenyl)methyl]ethanamine
CID 114646181
N-[(4-bromo-1-methylpyrazol-5-yl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 105189704
N-[(4-bromo-1-methylpyrazol-5-yl)-(6-methyl-2-pyridinyl)methyl]ethanamine
CID 114651558
N-[(5-bromo-2-methylphenyl)-(4-bromo-1-methylpyrazol-5-yl)methyl]ethanamine
CID 105054003
N-[(4-bromo-1-methylpyrazol-5-yl)-(2,4,6-trifluorophenyl)methyl]ethanamine
CID 105054034
4-[(4-bromo-1-methylpyrazol-5-yl)-(propylamino)methyl]-N,N-dimethylaniline
CID 105189780
N-[1-benzothiophen-2-yl-(4-bromo-1-methylpyrazol-5-yl)methyl]ethanamine
CID 105054206
N-[(4-bromo-1-methylpyrazol-5-yl)-(5-methyl-1-benzofuran-2-yl)methyl]ethanamine
CID 105189738
N-[(4-bromonaphthalen-1-yl)-thiophen-3-ylmethyl]ethanamine
CID 79597209

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-methylpyrazol-5-yl)-thiophen-3-ylmethyl]ethanamine?
The IUPAC name of N-[(4-bromo-1-methylpyrazol-5-yl)-thiophen-3-ylmethyl]ethanamine (CID 114647272) is N-[(4-bromo-1-methylpyrazol-5-yl)-thiophen-3-ylmethyl]ethanamine.
What is the SMILES notation for N-[(4-bromo-1-methylpyrazol-5-yl)-thiophen-3-ylmethyl]ethanamine?
The canonical SMILES for N-[(4-bromo-1-methylpyrazol-5-yl)-thiophen-3-ylmethyl]ethanamine is CCNC(c1ccsc1)c1c(Br)cnn1C.
What is the InChIKey of N-[(4-bromo-1-methylpyrazol-5-yl)-thiophen-3-ylmethyl]ethanamine?
The InChIKey is FRXBSIOILJUZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3S/c1-3-13-10(8-4-5-16-7-8)11-9(12)6-14-15(11)2/h4-7,10,13H,3H2,1-2H3.
What are the key properties of N-[(4-bromo-1-methylpyrazol-5-yl)-thiophen-3-ylmethyl]ethanamine?
N-[(4-bromo-1-methylpyrazol-5-yl)-thiophen-3-ylmethyl]ethanamine has a molecular weight of 300.23 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-methylpyrazol-5-yl)-thiophen-3-ylmethyl]ethanamine is sourced from PubChem (CID 114647272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).