(4-bromo-1-methylpyrazol-3-yl)-(5-methylthiophen-2-yl)methanone

C10H9BrN2OS — CID 164646823

IUPAC(4-bromo-1-methylpyrazol-3-yl)-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)c2nn(C)cc2Br)s1
InChIInChI=1S/C10H9BrN2OS/c1-6-3-4-8(15-6)10(14)9-7(11)5-13(2)12-9/h3-5H,1-2H3
InChIKeyVVTLIHRZXHKCBZ-UHFFFAOYSA-N
MW285.17 g/mol
LogP2.78
Rot. Bonds2

About (4-bromo-1-methylpyrazol-3-yl)-(5-methylthiophen-2-yl)methanone

(4-bromo-1-methylpyrazol-3-yl)-(5-methylthiophen-2-yl)methanone (PubChem CID 164646823) has the molecular formula C10H9BrN2OS and a molecular weight of 285.17 g/mol. Its IUPAC name is (4-bromo-1-methylpyrazol-3-yl)-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(4-bromo-1-methylpyrazol-3-yl)-(5-methylthiophen-2-yl)methanone
PubChem CID164646823
Molecular FormulaC10H9BrN2OS
Molecular Weight285.17 g/mol
Exact Mass283.96
IUPAC Name(4-bromo-1-methylpyrazol-3-yl)-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)c2nn(C)cc2Br)s1
InChIInChI=1S/C10H9BrN2OS/c1-6-3-4-8(15-6)10(14)9-7(11)5-13(2)12-9/h3-5H,1-2H3
InChIKeyVVTLIHRZXHKCBZ-UHFFFAOYSA-N
XLogP2.78
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrazol-3-yl)-(5-methylthiophen-2-yl)methanone?
The IUPAC name of (4-bromo-1-methylpyrazol-3-yl)-(5-methylthiophen-2-yl)methanone (CID 164646823) is (4-bromo-1-methylpyrazol-3-yl)-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for (4-bromo-1-methylpyrazol-3-yl)-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for (4-bromo-1-methylpyrazol-3-yl)-(5-methylthiophen-2-yl)methanone is Cc1ccc(C(=O)c2nn(C)cc2Br)s1.
What is the InChIKey of (4-bromo-1-methylpyrazol-3-yl)-(5-methylthiophen-2-yl)methanone?
The InChIKey is VVTLIHRZXHKCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2OS/c1-6-3-4-8(15-6)10(14)9-7(11)5-13(2)12-9/h3-5H,1-2H3.
What are the key properties of (4-bromo-1-methylpyrazol-3-yl)-(5-methylthiophen-2-yl)methanone?
(4-bromo-1-methylpyrazol-3-yl)-(5-methylthiophen-2-yl)methanone has a molecular weight of 285.17 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-methylpyrazol-3-yl)-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 164646823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).