1-[5-(3,5-dimethylpyrazol-1-yl)thiophen-2-yl]-3,5-dimethylpyrazole

C14H16N4S — CID 102044360

IUPAC1-[5-(3,5-dimethylpyrazol-1-yl)thiophen-2-yl]-3,5-dimethylpyrazole
SMILESCc1cc(C)n(-c2ccc(-n3nc(C)cc3C)s2)n1
InChIInChI=1S/C14H16N4S/c1-9-7-11(3)17(15-9)13-5-6-14(19-13)18-12(4)8-10(2)16-18/h5-8H,1-4H3
InChIKeyXLSRYLJFDXJURQ-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.35
Rot. Bonds2

About 1-[5-(3,5-dimethylpyrazol-1-yl)thiophen-2-yl]-3,5-dimethylpyrazole

1-[5-(3,5-dimethylpyrazol-1-yl)thiophen-2-yl]-3,5-dimethylpyrazole (PubChem CID 102044360) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is 1-[5-(3,5-dimethylpyrazol-1-yl)thiophen-2-yl]-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-[5-(3,5-dimethylpyrazol-1-yl)thiophen-2-yl]-3,5-dimethylpyrazole
PubChem CID102044360
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC Name1-[5-(3,5-dimethylpyrazol-1-yl)thiophen-2-yl]-3,5-dimethylpyrazole
SMILESCc1cc(C)n(-c2ccc(-n3nc(C)cc3C)s2)n1
InChIInChI=1S/C14H16N4S/c1-9-7-11(3)17(15-9)13-5-6-14(19-13)18-12(4)8-10(2)16-18/h5-8H,1-4H3
InChIKeyXLSRYLJFDXJURQ-UHFFFAOYSA-N
XLogP3.35
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-Methyl-1-thiophen-2-yl-3-(trifluoromethyl)pyrazole
CID 174731394
3,5-Dimethyl-1-[5-(5-methylthiophen-2-yl)thiophen-2-yl]pyrazole
CID 102044361
3,5-Dimethyl-1-(5-nitrothiophen-2-yl)pyrazole
CID 12778222
3,5-Dimethyl-1-thiophen-2-ylpyrazole
CID 23527869
1-[5-[5-(3,5-Dimethylpyrazol-1-yl)thiophen-2-yl]thiophen-2-yl]-3,5-dimethylpyrazole
CID 49766138
3,5-Dimethyl-1-thiophen-2-ylpyrazol-4-amine
CID 83807722

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,5-dimethylpyrazol-1-yl)thiophen-2-yl]-3,5-dimethylpyrazole?
The IUPAC name of 1-[5-(3,5-dimethylpyrazol-1-yl)thiophen-2-yl]-3,5-dimethylpyrazole (CID 102044360) is 1-[5-(3,5-dimethylpyrazol-1-yl)thiophen-2-yl]-3,5-dimethylpyrazole.
What is the SMILES notation for 1-[5-(3,5-dimethylpyrazol-1-yl)thiophen-2-yl]-3,5-dimethylpyrazole?
The canonical SMILES for 1-[5-(3,5-dimethylpyrazol-1-yl)thiophen-2-yl]-3,5-dimethylpyrazole is Cc1cc(C)n(-c2ccc(-n3nc(C)cc3C)s2)n1.
What is the InChIKey of 1-[5-(3,5-dimethylpyrazol-1-yl)thiophen-2-yl]-3,5-dimethylpyrazole?
The InChIKey is XLSRYLJFDXJURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S/c1-9-7-11(3)17(15-9)13-5-6-14(19-13)18-12(4)8-10(2)16-18/h5-8H,1-4H3.
What are the key properties of 1-[5-(3,5-dimethylpyrazol-1-yl)thiophen-2-yl]-3,5-dimethylpyrazole?
1-[5-(3,5-dimethylpyrazol-1-yl)thiophen-2-yl]-3,5-dimethylpyrazole has a molecular weight of 272.38 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,5-dimethylpyrazol-1-yl)thiophen-2-yl]-3,5-dimethylpyrazole is sourced from PubChem (CID 102044360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).