1-(2,5-dichlorothiophen-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-one

C11H10Cl2N2OS — CID 107967873

IUPAC1-(2,5-dichlorothiophen-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-one
SMILESCn1cc(CCC(=O)c2cc(Cl)sc2Cl)cn1
InChIInChI=1S/C11H10Cl2N2OS/c1-15-6-7(5-14-15)2-3-9(16)8-4-10(12)17-11(8)13/h4-6H,2-3H2,1H3
InChIKeyBGRRAWVPJSBFAB-UHFFFAOYSA-N
MW289.19 g/mol
LogP3.60
Rot. Bonds4

About 1-(2,5-dichlorothiophen-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-one

1-(2,5-dichlorothiophen-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-one (PubChem CID 107967873) has the molecular formula C11H10Cl2N2OS and a molecular weight of 289.19 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-one
PubChem CID107967873
Molecular FormulaC11H10Cl2N2OS
Molecular Weight289.19 g/mol
Exact Mass287.99
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-one
SMILESCn1cc(CCC(=O)c2cc(Cl)sc2Cl)cn1
InChIInChI=1S/C11H10Cl2N2OS/c1-15-6-7(5-14-15)2-3-9(16)8-4-10(12)17-11(8)13/h4-6H,2-3H2,1H3
InChIKeyBGRRAWVPJSBFAB-UHFFFAOYSA-N
XLogP3.60
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.19
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-2-chlorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103024071
1-(3,4-dichlorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103007783
1-(2,5-dichlorothiophen-3-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 107967875
1-(2,5-difluorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103007457
1-(3,5-dimethylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103024078
1-(5-chlorofuran-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 106691371
1-(4-bromo-3-chlorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103023937
3-(1-methylpyrazol-4-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propan-1-one
CID 103023903
3-(1-methylpyrazol-4-yl)-1-[2-(trifluoromethyl)phenyl]propan-1-one
CID 103024106
2,5-dichloro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]thiophene-3-carboxamide
CID 111458654
4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-one
CID 62126204
1-(5-methylfuran-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103024085

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-one?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-one (CID 107967873) is 1-(2,5-dichlorothiophen-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-one.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-one?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-one is Cn1cc(CCC(=O)c2cc(Cl)sc2Cl)cn1.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-one?
The InChIKey is BGRRAWVPJSBFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2OS/c1-15-6-7(5-14-15)2-3-9(16)8-4-10(12)17-11(8)13/h4-6H,2-3H2,1H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-one?
1-(2,5-dichlorothiophen-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-one has a molecular weight of 289.19 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-one is sourced from PubChem (CID 107967873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).