5-(4-chlorophenyl)-1-methyl-3-thiophen-2-ylpyrazole

C14H11ClN2S — CID 57160963

IUPAC5-(4-chlorophenyl)-1-methyl-3-thiophen-2-ylpyrazole
SMILESCn1nc(-c2cccs2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C14H11ClN2S/c1-17-13(10-4-6-11(15)7-5-10)9-12(16-17)14-3-2-8-18-14/h2-9H,1H3
InChIKeyQVHWUCQHUKHEHR-UHFFFAOYSA-N
MW274.78 g/mol
LogP4.47
Rot. Bonds2

About 5-(4-chlorophenyl)-1-methyl-3-thiophen-2-ylpyrazole

5-(4-chlorophenyl)-1-methyl-3-thiophen-2-ylpyrazole (PubChem CID 57160963) has the molecular formula C14H11ClN2S and a molecular weight of 274.78 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-methyl-3-thiophen-2-ylpyrazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-methyl-3-thiophen-2-ylpyrazole
PubChem CID57160963
Molecular FormulaC14H11ClN2S
Molecular Weight274.78 g/mol
Exact Mass274.03
IUPAC Name5-(4-chlorophenyl)-1-methyl-3-thiophen-2-ylpyrazole
SMILESCn1nc(-c2cccs2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C14H11ClN2S/c1-17-13(10-4-6-11(15)7-5-10)9-12(16-17)14-3-2-8-18-14/h2-9H,1H3
InChIKeyQVHWUCQHUKHEHR-UHFFFAOYSA-N
XLogP4.47
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.78
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-1-methyl-5-thiophen-2-ylpyrazole
CID 56998816
1,5-dimethyl-3-thiophen-2-ylpyrazole
CID 59635615
3-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]thiophene-2-carboxamide
CID 54596542
2-(4-chlorophenyl)-4-(4-methylphenyl)-6-thiophen-2-ylpyridine
CID 102488794
6-chloro-2-thiophen-2-ylpyrazolo[1,5-a]pyridine
CID 123140199
2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-2-pyridinyl]benzamide;5-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)pyridin-2-amine
CID 159159544
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-yl-1,3-thiazole
CID 11726073
2-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)acetonitrile
CID 15707631
5-(4-chlorophenyl)-1-methyl-2-(4-methylsulfanylphenyl)-3-thiophen-2-ylpyrrole
CID 2732824
2-chloro-4-(1-methylpyrrol-2-yl)-6-thiophen-2-ylpyrimidine
CID 14877344
4-[6-(4-chlorophenyl)-4-thiophen-2-yl-2-pyridinyl]phenol
CID 137175137
1-methyl-N-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 812762

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-methyl-3-thiophen-2-ylpyrazole?
The IUPAC name of 5-(4-chlorophenyl)-1-methyl-3-thiophen-2-ylpyrazole (CID 57160963) is 5-(4-chlorophenyl)-1-methyl-3-thiophen-2-ylpyrazole.
What is the SMILES notation for 5-(4-chlorophenyl)-1-methyl-3-thiophen-2-ylpyrazole?
The canonical SMILES for 5-(4-chlorophenyl)-1-methyl-3-thiophen-2-ylpyrazole is Cn1nc(-c2cccs2)cc1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-1-methyl-3-thiophen-2-ylpyrazole?
The InChIKey is QVHWUCQHUKHEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2S/c1-17-13(10-4-6-11(15)7-5-10)9-12(16-17)14-3-2-8-18-14/h2-9H,1H3.
What are the key properties of 5-(4-chlorophenyl)-1-methyl-3-thiophen-2-ylpyrazole?
5-(4-chlorophenyl)-1-methyl-3-thiophen-2-ylpyrazole has a molecular weight of 274.78 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-methyl-3-thiophen-2-ylpyrazole is sourced from PubChem (CID 57160963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).