5-[3-(3-methylthiophen-2-yl)phenyl]-1H-pyrazole

C14H12N2S — CID 29085232

IUPAC5-[3-(3-methylthiophen-2-yl)phenyl]-1H-pyrazole
SMILESCc1ccsc1-c1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C14H12N2S/c1-10-6-8-17-14(10)12-4-2-3-11(9-12)13-5-7-15-16-13/h2-9H,1H3,(H,15,16)
InChIKeyMPMFZJLLJUOJOP-UHFFFAOYSA-N
MW240.33 g/mol
LogP4.11
Rot. Bonds2

About 5-[3-(3-methylthiophen-2-yl)phenyl]-1H-pyrazole

5-[3-(3-methylthiophen-2-yl)phenyl]-1H-pyrazole (PubChem CID 29085232) has the molecular formula C14H12N2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 5-[3-(3-methylthiophen-2-yl)phenyl]-1H-pyrazole.

Molecular Properties

Compound Name5-[3-(3-methylthiophen-2-yl)phenyl]-1H-pyrazole
PubChem CID29085232
Molecular FormulaC14H12N2S
Molecular Weight240.33 g/mol
Exact Mass240.07
IUPAC Name5-[3-(3-methylthiophen-2-yl)phenyl]-1H-pyrazole
SMILESCc1ccsc1-c1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C14H12N2S/c1-10-6-8-17-14(10)12-4-2-3-11(9-12)13-5-7-15-16-13/h2-9H,1H3,(H,15,16)
InChIKeyMPMFZJLLJUOJOP-UHFFFAOYSA-N
XLogP4.11
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-methylthiophen-2-yl)phenyl]-1H-pyrazole?
The IUPAC name of 5-[3-(3-methylthiophen-2-yl)phenyl]-1H-pyrazole (CID 29085232) is 5-[3-(3-methylthiophen-2-yl)phenyl]-1H-pyrazole.
What is the SMILES notation for 5-[3-(3-methylthiophen-2-yl)phenyl]-1H-pyrazole?
The canonical SMILES for 5-[3-(3-methylthiophen-2-yl)phenyl]-1H-pyrazole is Cc1ccsc1-c1cccc(-c2ccn[nH]2)c1.
What is the InChIKey of 5-[3-(3-methylthiophen-2-yl)phenyl]-1H-pyrazole?
The InChIKey is MPMFZJLLJUOJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2S/c1-10-6-8-17-14(10)12-4-2-3-11(9-12)13-5-7-15-16-13/h2-9H,1H3,(H,15,16).
What are the key properties of 5-[3-(3-methylthiophen-2-yl)phenyl]-1H-pyrazole?
5-[3-(3-methylthiophen-2-yl)phenyl]-1H-pyrazole has a molecular weight of 240.33 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-methylthiophen-2-yl)phenyl]-1H-pyrazole is sourced from PubChem (CID 29085232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).