(5-bromothiophen-3-yl)-(1-methylpyrazol-3-yl)methanamine

C9H10BrN3S — CID 103135151

IUPAC(5-bromothiophen-3-yl)-(1-methylpyrazol-3-yl)methanamine
SMILESCn1ccc(C(N)c2csc(Br)c2)n1
InChIInChI=1S/C9H10BrN3S/c1-13-3-2-7(12-13)9(11)6-4-8(10)14-5-6/h2-5,9H,11H2,1H3
InChIKeyMQRJMXHMIAHVCA-UHFFFAOYSA-N
MW272.17 g/mol
LogP2.29
Rot. Bonds2

About (5-bromothiophen-3-yl)-(1-methylpyrazol-3-yl)methanamine

(5-bromothiophen-3-yl)-(1-methylpyrazol-3-yl)methanamine (PubChem CID 103135151) has the molecular formula C9H10BrN3S and a molecular weight of 272.17 g/mol. Its IUPAC name is (5-bromothiophen-3-yl)-(1-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(5-bromothiophen-3-yl)-(1-methylpyrazol-3-yl)methanamine
PubChem CID103135151
Molecular FormulaC9H10BrN3S
Molecular Weight272.17 g/mol
Exact Mass270.98
IUPAC Name(5-bromothiophen-3-yl)-(1-methylpyrazol-3-yl)methanamine
SMILESCn1ccc(C(N)c2csc(Br)c2)n1
InChIInChI=1S/C9H10BrN3S/c1-13-3-2-7(12-13)9(11)6-4-8(10)14-5-6/h2-5,9H,11H2,1H3
InChIKeyMQRJMXHMIAHVCA-UHFFFAOYSA-N
XLogP2.29
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dibromophenyl)-(1-methylpyrazol-3-yl)methanamine
CID 107977932
N-[(5-bromothiophen-3-yl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 103135400
(1-methylpyrazol-3-yl)-phenylmethanamine
CID 65200403
(3-bromo-4-fluorophenyl)-(1-methylpyrazol-3-yl)methanamine
CID 103131308
(2-bromo-5-methylphenyl)-(1-methylpyrazol-3-yl)methanamine
CID 103135283
(1-methylpyrazol-3-yl)-(1-methylpyrazol-4-yl)methanamine
CID 65200249
(5-methylfuran-3-yl)-(1-methylpyrazol-3-yl)methanamine
CID 103134923
(1-methylpyrazol-3-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 103134636
(2-bromo-4-chlorophenyl)-(1-methylpyrazol-3-yl)methanamine
CID 107995871
(1-methylpyrazol-3-yl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 103134428
(1-methylpyrazol-3-yl)-(4-propylphenyl)methanamine
CID 65200725
(1-methylpyrazol-3-yl)-(3-methyl-1,2-thiazol-5-yl)methanamine
CID 130674397

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-3-yl)-(1-methylpyrazol-3-yl)methanamine?
The IUPAC name of (5-bromothiophen-3-yl)-(1-methylpyrazol-3-yl)methanamine (CID 103135151) is (5-bromothiophen-3-yl)-(1-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for (5-bromothiophen-3-yl)-(1-methylpyrazol-3-yl)methanamine?
The canonical SMILES for (5-bromothiophen-3-yl)-(1-methylpyrazol-3-yl)methanamine is Cn1ccc(C(N)c2csc(Br)c2)n1.
What is the InChIKey of (5-bromothiophen-3-yl)-(1-methylpyrazol-3-yl)methanamine?
The InChIKey is MQRJMXHMIAHVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3S/c1-13-3-2-7(12-13)9(11)6-4-8(10)14-5-6/h2-5,9H,11H2,1H3.
What are the key properties of (5-bromothiophen-3-yl)-(1-methylpyrazol-3-yl)methanamine?
(5-bromothiophen-3-yl)-(1-methylpyrazol-3-yl)methanamine has a molecular weight of 272.17 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-3-yl)-(1-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 103135151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).