(4,5-dibromothiophen-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone

C10H8Br2N2OS — CID 4768941

IUPAC(4,5-dibromothiophen-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone
SMILESCc1cc(C)n(C(=O)c2cc(Br)c(Br)s2)n1
InChIInChI=1S/C10H8Br2N2OS/c1-5-3-6(2)14(13-5)10(15)8-4-7(11)9(12)16-8/h3-4H,1-2H3
InChIKeyWABGDJDGANSHHC-UHFFFAOYSA-N
MW364.06 g/mol
LogP3.77
Rot. Bonds1

About (4,5-dibromothiophen-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone

(4,5-dibromothiophen-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone (PubChem CID 4768941) has the molecular formula C10H8Br2N2OS and a molecular weight of 364.06 g/mol. Its IUPAC name is (4,5-dibromothiophen-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone.

Molecular Properties

Compound Name(4,5-dibromothiophen-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone
PubChem CID4768941
Molecular FormulaC10H8Br2N2OS
Molecular Weight364.06 g/mol
Exact Mass361.87
IUPAC Name(4,5-dibromothiophen-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone
SMILESCc1cc(C)n(C(=O)c2cc(Br)c(Br)s2)n1
InChIInChI=1S/C10H8Br2N2OS/c1-5-3-6(2)14(13-5)10(15)8-4-7(11)9(12)16-8/h3-4H,1-2H3
InChIKeyWABGDJDGANSHHC-UHFFFAOYSA-N
XLogP3.77
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.06
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4,5-dibromothiophen-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone?
The IUPAC name of (4,5-dibromothiophen-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone (CID 4768941) is (4,5-dibromothiophen-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone.
What is the SMILES notation for (4,5-dibromothiophen-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone?
The canonical SMILES for (4,5-dibromothiophen-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone is Cc1cc(C)n(C(=O)c2cc(Br)c(Br)s2)n1.
What is the InChIKey of (4,5-dibromothiophen-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone?
The InChIKey is WABGDJDGANSHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2N2OS/c1-5-3-6(2)14(13-5)10(15)8-4-7(11)9(12)16-8/h3-4H,1-2H3.
What are the key properties of (4,5-dibromothiophen-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone?
(4,5-dibromothiophen-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone has a molecular weight of 364.06 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dibromothiophen-2-yl)-(3,5-dimethylpyrazol-1-yl)methanone is sourced from PubChem (CID 4768941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).