(4-bromo-1-methylpyrazol-5-yl)-(5-ethylthiophen-2-yl)methanamine

C11H14BrN3S — CID 105054323

IUPAC(4-bromo-1-methylpyrazol-5-yl)-(5-ethylthiophen-2-yl)methanamine
SMILESCCc1ccc(C(N)c2c(Br)cnn2C)s1
InChIInChI=1S/C11H14BrN3S/c1-3-7-4-5-9(16-7)10(13)11-8(12)6-14-15(11)2/h4-6,10H,3,13H2,1-2H3
InChIKeyGXXTYZOSODLAQT-UHFFFAOYSA-N
MW300.23 g/mol
LogP2.85
Rot. Bonds3

About (4-bromo-1-methylpyrazol-5-yl)-(5-ethylthiophen-2-yl)methanamine

(4-bromo-1-methylpyrazol-5-yl)-(5-ethylthiophen-2-yl)methanamine (PubChem CID 105054323) has the molecular formula C11H14BrN3S and a molecular weight of 300.23 g/mol. Its IUPAC name is (4-bromo-1-methylpyrazol-5-yl)-(5-ethylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(4-bromo-1-methylpyrazol-5-yl)-(5-ethylthiophen-2-yl)methanamine
PubChem CID105054323
Molecular FormulaC11H14BrN3S
Molecular Weight300.23 g/mol
Exact Mass299.01
IUPAC Name(4-bromo-1-methylpyrazol-5-yl)-(5-ethylthiophen-2-yl)methanamine
SMILESCCc1ccc(C(N)c2c(Br)cnn2C)s1
InChIInChI=1S/C11H14BrN3S/c1-3-7-4-5-9(16-7)10(13)11-8(12)6-14-15(11)2/h4-6,10H,3,13H2,1-2H3
InChIKeyGXXTYZOSODLAQT-UHFFFAOYSA-N
XLogP2.85
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-1-methylpyrazol-5-yl)-(4-bromothiophen-2-yl)methanamine
CID 114652742
1-benzothiophen-2-yl-(4-bromo-1-methylpyrazol-5-yl)methanamine
CID 105054135
1-(4-bromo-1-propylpyrazol-5-yl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine
CID 105041323
(5-bromo-3-pyridinyl)-(5-ethylthiophen-2-yl)methanamine
CID 43125136
1-(5-ethylthiophen-2-yl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105047071
(2-bromo-3-methylphenyl)-(5-ethylthiophen-2-yl)methanamine
CID 107981821
[(4-bromo-1-methylpyrazol-5-yl)-(5-bromothiophen-2-yl)methyl]hydrazine
CID 105222214
(5-bromo-3-methyltriazol-4-yl)-(5-ethylthiophen-2-yl)methanol
CID 106461206
(5-ethylthiophen-2-yl)-(2-phenylpyrazol-3-yl)methanamine
CID 107331981
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(5-chlorothiophen-2-yl)methanamine
CID 105042104
(3-bromophenyl)-(5-ethylthiophen-2-yl)methanamine
CID 43198306
(4-bromo-1-methylpyrazol-5-yl)-(5-chloro-2-iodophenyl)methanamine
CID 114030271

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(5-ethylthiophen-2-yl)methanamine?
The IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(5-ethylthiophen-2-yl)methanamine (CID 105054323) is (4-bromo-1-methylpyrazol-5-yl)-(5-ethylthiophen-2-yl)methanamine.
What is the SMILES notation for (4-bromo-1-methylpyrazol-5-yl)-(5-ethylthiophen-2-yl)methanamine?
The canonical SMILES for (4-bromo-1-methylpyrazol-5-yl)-(5-ethylthiophen-2-yl)methanamine is CCc1ccc(C(N)c2c(Br)cnn2C)s1.
What is the InChIKey of (4-bromo-1-methylpyrazol-5-yl)-(5-ethylthiophen-2-yl)methanamine?
The InChIKey is GXXTYZOSODLAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3S/c1-3-7-4-5-9(16-7)10(13)11-8(12)6-14-15(11)2/h4-6,10H,3,13H2,1-2H3.
What are the key properties of (4-bromo-1-methylpyrazol-5-yl)-(5-ethylthiophen-2-yl)methanamine?
(4-bromo-1-methylpyrazol-5-yl)-(5-ethylthiophen-2-yl)methanamine has a molecular weight of 300.23 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-methylpyrazol-5-yl)-(5-ethylthiophen-2-yl)methanamine is sourced from PubChem (CID 105054323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).