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

C10H9ClN2OS — CID 102802864

IUPAC(5-chlorothiophen-2-yl)-(1,3-dimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)cc1C(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H9ClN2OS/c1-6-7(5-13(2)12-6)10(14)8-3-4-9(11)15-8/h3-5H,1-2H3
InChIKeyFZESAPRSGBKMSF-UHFFFAOYSA-N
MW240.72 g/mol
LogP2.67
Rot. Bonds2

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

(5-chlorothiophen-2-yl)-(1,3-dimethylpyrazol-4-yl)methanone (PubChem CID 102802864) has the molecular formula C10H9ClN2OS and a molecular weight of 240.72 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(1,3-dimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(1,3-dimethylpyrazol-4-yl)methanone
PubChem CID102802864
Molecular FormulaC10H9ClN2OS
Molecular Weight240.72 g/mol
Exact Mass240.01
IUPAC Name(5-chlorothiophen-2-yl)-(1,3-dimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)cc1C(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H9ClN2OS/c1-6-7(5-13(2)12-6)10(14)8-3-4-9(11)15-8/h3-5H,1-2H3
InChIKeyFZESAPRSGBKMSF-UHFFFAOYSA-N
XLogP2.67
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chlorothiophen-2-yl)-3-(1,3-dimethylpyrazol-4-yl)propane-1,3-dione
CID 102801743
(5-chlorothiophen-2-yl)-(2-methyl-3-pyridinyl)methanone
CID 105122606
5-(1,3-dimethylpyrazole-4-carbonyl)-2-methylthiophene-3-carbaldehyde
CID 82383434
(5-chlorothiophen-2-yl)-(2-methylpyrazol-3-yl)methanone
CID 114972633
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-chlorothiophen-2-yl)ethanone
CID 114979264
(3,5-dimethylphenyl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 102802657
(3,4-dimethylphenyl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 102802720
2-(3,4-dichlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanone
CID 102802703
1,3-dimethylpyrazole-4-carboxylic acid;ethane
CID 142969611
2-chloro-1,3-bis(1,3-dimethylpyrazol-4-yl)propane-1,3-dione
CID 19588271
(2-chloro-5-fluorophenyl)-(5-chlorothiophen-2-yl)methanone
CID 105396607
1-(5-chlorothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanone
CID 107063130

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(1,3-dimethylpyrazol-4-yl)methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-(1,3-dimethylpyrazol-4-yl)methanone (CID 102802864) is (5-chlorothiophen-2-yl)-(1,3-dimethylpyrazol-4-yl)methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(1,3-dimethylpyrazol-4-yl)methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-(1,3-dimethylpyrazol-4-yl)methanone is Cc1nn(C)cc1C(=O)c1ccc(Cl)s1.
What is the InChIKey of (5-chlorothiophen-2-yl)-(1,3-dimethylpyrazol-4-yl)methanone?
The InChIKey is FZESAPRSGBKMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2OS/c1-6-7(5-13(2)12-6)10(14)8-3-4-9(11)15-8/h3-5H,1-2H3.
What are the key properties of (5-chlorothiophen-2-yl)-(1,3-dimethylpyrazol-4-yl)methanone?
(5-chlorothiophen-2-yl)-(1,3-dimethylpyrazol-4-yl)methanone has a molecular weight of 240.72 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-(1,3-dimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 102802864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).