N-[(5-bromothiophen-2-yl)methyl]-1-(2-ethylpyrazol-3-yl)methanamine

C11H14BrN3S — CID 115761620

IUPACN-[(5-bromothiophen-2-yl)methyl]-1-(2-ethylpyrazol-3-yl)methanamine
SMILESCCn1nccc1CNCc1ccc(Br)s1
InChIInChI=1S/C11H14BrN3S/c1-2-15-9(5-6-14-15)7-13-8-10-3-4-11(12)16-10/h3-6,13H,2,7-8H2,1H3
InChIKeyIEECOAQQVIIWMQ-UHFFFAOYSA-N
MW300.23 g/mol
LogP3.02
Rot. Bonds5

About N-[(5-bromothiophen-2-yl)methyl]-1-(2-ethylpyrazol-3-yl)methanamine

N-[(5-bromothiophen-2-yl)methyl]-1-(2-ethylpyrazol-3-yl)methanamine (PubChem CID 115761620) has the molecular formula C11H14BrN3S and a molecular weight of 300.23 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-1-(2-ethylpyrazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-1-(2-ethylpyrazol-3-yl)methanamine
PubChem CID115761620
Molecular FormulaC11H14BrN3S
Molecular Weight300.23 g/mol
Exact Mass299.01
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-1-(2-ethylpyrazol-3-yl)methanamine
SMILESCCn1nccc1CNCc1ccc(Br)s1
InChIInChI=1S/C11H14BrN3S/c1-2-15-9(5-6-14-15)7-13-8-10-3-4-11(12)16-10/h3-6,13H,2,7-8H2,1H3
InChIKeyIEECOAQQVIIWMQ-UHFFFAOYSA-N
XLogP3.02
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-(2-ethylpyrazol-3-yl)methanamine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-(2-ethylpyrazol-3-yl)methanamine (CID 115761620) is N-[(5-bromothiophen-2-yl)methyl]-1-(2-ethylpyrazol-3-yl)methanamine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-1-(2-ethylpyrazol-3-yl)methanamine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-1-(2-ethylpyrazol-3-yl)methanamine is CCn1nccc1CNCc1ccc(Br)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-1-(2-ethylpyrazol-3-yl)methanamine?
The InChIKey is IEECOAQQVIIWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3S/c1-2-15-9(5-6-14-15)7-13-8-10-3-4-11(12)16-10/h3-6,13H,2,7-8H2,1H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-1-(2-ethylpyrazol-3-yl)methanamine?
N-[(5-bromothiophen-2-yl)methyl]-1-(2-ethylpyrazol-3-yl)methanamine has a molecular weight of 300.23 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-1-(2-ethylpyrazol-3-yl)methanamine is sourced from PubChem (CID 115761620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).