1-phenyl-[1]benzothiolo[2,3-d]pyrazole

C15H10N2S — CID 141025136

IUPAC1-phenyl-[1]benzothiolo[2,3-d]pyrazole
SMILESc1ccc(-n2ncc3sc4ccccc4c32)cc1
InChIInChI=1S/C15H10N2S/c1-2-6-11(7-3-1)17-15-12-8-4-5-9-13(12)18-14(15)10-16-17/h1-10H
InChIKeyWVSLBRKPQGOCEJ-UHFFFAOYSA-N
MW250.33 g/mol
LogP4.24
Rot. Bonds1

About 1-phenyl-[1]benzothiolo[2,3-d]pyrazole

1-phenyl-[1]benzothiolo[2,3-d]pyrazole (PubChem CID 141025136) has the molecular formula C15H10N2S and a molecular weight of 250.33 g/mol. Its IUPAC name is 1-phenyl-[1]benzothiolo[2,3-d]pyrazole.

Molecular Properties

Compound Name1-phenyl-[1]benzothiolo[2,3-d]pyrazole
PubChem CID141025136
Molecular FormulaC15H10N2S
Molecular Weight250.33 g/mol
Exact Mass250.06
IUPAC Name1-phenyl-[1]benzothiolo[2,3-d]pyrazole
SMILESc1ccc(-n2ncc3sc4ccccc4c32)cc1
InChIInChI=1S/C15H10N2S/c1-2-6-11(7-3-1)17-15-12-8-4-5-9-13(12)18-14(15)10-16-17/h1-10H
InChIKeyWVSLBRKPQGOCEJ-UHFFFAOYSA-N
XLogP4.24
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenylthieno[2,3-d]pyrazole
CID 11229409
dibenzothiophene;9-phenylcarbazole
CID 142415981
dibenzothiophene;methane
CID 162233710
bis(dibenzothiophene);ethane
CID 143921746
1-dibenzothiophen-1-yl-9-phenylcarbazole
CID 137466628
4-dibenzothiophen-2-yl-3,5-dimethyl-1-phenylpyrazole
CID 140715479
dibenzothiophene;formaldehyde
CID 20556925
3-phenyl-[1]benzothiolo[2,3-d]pyrimidin-2-one
CID 71501415
dibenzothiophene;ethane;molecular hydrogen
CID 145320534
14,22-diphenyl-9-thia-14,22-diazahexacyclo[11.10.0.02,10.03,8.015,23.016,21]tricosa-1(13),2(10),3,5,7,11,15(23),16,18,20-decaene
CID 118203573
2,3-difluoro-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 122365365
22-thia-14-azahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene
CID 132507508

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-[1]benzothiolo[2,3-d]pyrazole?
The IUPAC name of 1-phenyl-[1]benzothiolo[2,3-d]pyrazole (CID 141025136) is 1-phenyl-[1]benzothiolo[2,3-d]pyrazole.
What is the SMILES notation for 1-phenyl-[1]benzothiolo[2,3-d]pyrazole?
The canonical SMILES for 1-phenyl-[1]benzothiolo[2,3-d]pyrazole is c1ccc(-n2ncc3sc4ccccc4c32)cc1.
What is the InChIKey of 1-phenyl-[1]benzothiolo[2,3-d]pyrazole?
The InChIKey is WVSLBRKPQGOCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2S/c1-2-6-11(7-3-1)17-15-12-8-4-5-9-13(12)18-14(15)10-16-17/h1-10H.
What are the key properties of 1-phenyl-[1]benzothiolo[2,3-d]pyrazole?
1-phenyl-[1]benzothiolo[2,3-d]pyrazole has a molecular weight of 250.33 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-[1]benzothiolo[2,3-d]pyrazole is sourced from PubChem (CID 141025136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).