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

C14H11ClN2S — CID 56998816

IUPAC3-(4-chlorophenyl)-1-methyl-5-thiophen-2-ylpyrazole
SMILESCn1nc(-c2ccc(Cl)cc2)cc1-c1cccs1
InChIInChI=1S/C14H11ClN2S/c1-17-13(14-3-2-8-18-14)9-12(16-17)10-4-6-11(15)7-5-10/h2-9H,1H3
InChIKeyXHAHQIMFCSQVCQ-UHFFFAOYSA-N
MW274.78 g/mol
LogP4.47
Rot. Bonds2

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

3-(4-chlorophenyl)-1-methyl-5-thiophen-2-ylpyrazole (PubChem CID 56998816) has the molecular formula C14H11ClN2S and a molecular weight of 274.78 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-methyl-5-thiophen-2-ylpyrazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-methyl-5-thiophen-2-ylpyrazole
PubChem CID56998816
Molecular FormulaC14H11ClN2S
Molecular Weight274.78 g/mol
Exact Mass274.03
IUPAC Name3-(4-chlorophenyl)-1-methyl-5-thiophen-2-ylpyrazole
SMILESCn1nc(-c2ccc(Cl)cc2)cc1-c1cccs1
InChIInChI=1S/C14H11ClN2S/c1-17-13(14-3-2-8-18-14)9-12(16-17)10-4-6-11(15)7-5-10/h2-9H,1H3
InChIKeyXHAHQIMFCSQVCQ-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

5-(4-chlorophenyl)-1-methyl-3-thiophen-2-ylpyrazole
CID 57160963
3-(4-fluorophenyl)-5-thiophen-2-yl-1-(2,4,6-trichlorophenyl)pyrazole
CID 102456242
5-bromo-3-(4-chlorophenyl)-1-methylpyrazole
CID 84713066
3-(1,1-difluoroethyl)-1-methyl-5-thiophen-2-ylpyrazole
CID 69087337
2-(4-chlorophenyl)-4-(4-methylphenyl)-6-thiophen-2-ylpyridine
CID 102488794
1,5-dimethyl-3-thiophen-2-ylpyrazole
CID 59635615
4-[6-(4-chlorophenyl)-4-thiophen-2-yl-2-pyridinyl]phenol
CID 137175137
N-(2-fluorophenyl)-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide
CID 110336071
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-yl-1,3-thiazole
CID 11726073
3-methyl-N-[4-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)phenyl]thiophene-2-carboxamide
CID 54596542
[2-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]amino]-2-oxoethyl] 3-thiophen-2-ylpropanoate
CID 8529166
6-(4-chlorophenyl)-5-(1-methylpyrrol-2-yl)-3-thiophen-2-yl-1,2,4-triazine
CID 6404958

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-methyl-5-thiophen-2-ylpyrazole?
The IUPAC name of 3-(4-chlorophenyl)-1-methyl-5-thiophen-2-ylpyrazole (CID 56998816) is 3-(4-chlorophenyl)-1-methyl-5-thiophen-2-ylpyrazole.
What is the SMILES notation for 3-(4-chlorophenyl)-1-methyl-5-thiophen-2-ylpyrazole?
The canonical SMILES for 3-(4-chlorophenyl)-1-methyl-5-thiophen-2-ylpyrazole is Cn1nc(-c2ccc(Cl)cc2)cc1-c1cccs1.
What is the InChIKey of 3-(4-chlorophenyl)-1-methyl-5-thiophen-2-ylpyrazole?
The InChIKey is XHAHQIMFCSQVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2S/c1-17-13(14-3-2-8-18-14)9-12(16-17)10-4-6-11(15)7-5-10/h2-9H,1H3.
What are the key properties of 3-(4-chlorophenyl)-1-methyl-5-thiophen-2-ylpyrazole?
3-(4-chlorophenyl)-1-methyl-5-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 3-(4-chlorophenyl)-1-methyl-5-thiophen-2-ylpyrazole is sourced from PubChem (CID 56998816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).