1-(5-chlorothiophen-2-yl)-2-(1-methylpyrazol-4-yl)sulfanylpropan-1-one

C11H11ClN2OS2 — CID 61385071

IUPAC1-(5-chlorothiophen-2-yl)-2-(1-methylpyrazol-4-yl)sulfanylpropan-1-one
SMILESCC(Sc1cnn(C)c1)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H11ClN2OS2/c1-7(16-8-5-13-14(2)6-8)11(15)9-3-4-10(12)17-9/h3-7H,1-2H3
InChIKeyCHNSRVNXNRBDCC-UHFFFAOYSA-N
MW286.81 g/mol
LogP3.50
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-2-(1-methylpyrazol-4-yl)sulfanylpropan-1-one

1-(5-chlorothiophen-2-yl)-2-(1-methylpyrazol-4-yl)sulfanylpropan-1-one (PubChem CID 61385071) has the molecular formula C11H11ClN2OS2 and a molecular weight of 286.81 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-(1-methylpyrazol-4-yl)sulfanylpropan-1-one.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-(1-methylpyrazol-4-yl)sulfanylpropan-1-one
PubChem CID61385071
Molecular FormulaC11H11ClN2OS2
Molecular Weight286.81 g/mol
Exact Mass286.00
IUPAC Name1-(5-chlorothiophen-2-yl)-2-(1-methylpyrazol-4-yl)sulfanylpropan-1-one
SMILESCC(Sc1cnn(C)c1)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H11ClN2OS2/c1-7(16-8-5-13-14(2)6-8)11(15)9-3-4-10(12)17-9/h3-7H,1-2H3
InChIKeyCHNSRVNXNRBDCC-UHFFFAOYSA-N
XLogP3.50
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chlorothiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-1-one
CID 62409000
2-(2-chlorophenyl)sulfanyl-1-(5-chlorothiophen-2-yl)propan-1-one
CID 43802287
1-(5-chlorothiophen-2-yl)-2-propan-2-ylsulfanylpropan-1-one
CID 60884100
2-chloro-1-(5-chlorothiophen-2-yl)propan-1-one
CID 18409467
5-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 31844671
1-(5-chlorothiophen-2-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 43798150
2-[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]sulfanyl-N-propylacetamide
CID 114234090
(5-chlorothiophen-2-yl)-(2-methylpyrazol-3-yl)methanone
CID 114972633
2-(1-methylpyrazol-4-yl)sulfanyl-1-phenylbutan-1-one
CID 61385060
1-(5-chlorothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanone
CID 107063130
1-(5-chlorothiophen-2-yl)-2-(2,5-dimethylmorpholin-4-yl)propan-1-one
CID 43796492
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(1-methylpyrazol-4-yl)acetamide
CID 115290079

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(1-methylpyrazol-4-yl)sulfanylpropan-1-one?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(1-methylpyrazol-4-yl)sulfanylpropan-1-one (CID 61385071) is 1-(5-chlorothiophen-2-yl)-2-(1-methylpyrazol-4-yl)sulfanylpropan-1-one.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-(1-methylpyrazol-4-yl)sulfanylpropan-1-one?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-(1-methylpyrazol-4-yl)sulfanylpropan-1-one is CC(Sc1cnn(C)c1)C(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-(1-methylpyrazol-4-yl)sulfanylpropan-1-one?
The InChIKey is CHNSRVNXNRBDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2OS2/c1-7(16-8-5-13-14(2)6-8)11(15)9-3-4-10(12)17-9/h3-7H,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-(1-methylpyrazol-4-yl)sulfanylpropan-1-one?
1-(5-chlorothiophen-2-yl)-2-(1-methylpyrazol-4-yl)sulfanylpropan-1-one has a molecular weight of 286.81 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-(1-methylpyrazol-4-yl)sulfanylpropan-1-one is sourced from PubChem (CID 61385071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).