2-(3-methyl-4,6-dihydrothieno[3,4-d]pyrazol-1-yl)phenol

C12H12N2OS — CID 105491379

IUPAC2-(3-methyl-4,6-dihydrothieno[3,4-d]pyrazol-1-yl)phenol
SMILESCc1nn(-c2ccccc2O)c2c1CSC2
InChIInChI=1S/C12H12N2OS/c1-8-9-6-16-7-11(9)14(13-8)10-4-2-3-5-12(10)15/h2-5,15H,6-7H2,1H3
InChIKeyARIXJQVHMVYMRN-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.63
Rot. Bonds1

About 2-(3-methyl-4,6-dihydrothieno[3,4-d]pyrazol-1-yl)phenol

2-(3-methyl-4,6-dihydrothieno[3,4-d]pyrazol-1-yl)phenol (PubChem CID 105491379) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 2-(3-methyl-4,6-dihydrothieno[3,4-d]pyrazol-1-yl)phenol.

Molecular Properties

Compound Name2-(3-methyl-4,6-dihydrothieno[3,4-d]pyrazol-1-yl)phenol
PubChem CID105491379
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name2-(3-methyl-4,6-dihydrothieno[3,4-d]pyrazol-1-yl)phenol
SMILESCc1nn(-c2ccccc2O)c2c1CSC2
InChIInChI=1S/C12H12N2OS/c1-8-9-6-16-7-11(9)14(13-8)10-4-2-3-5-12(10)15/h2-5,15H,6-7H2,1H3
InChIKeyARIXJQVHMVYMRN-UHFFFAOYSA-N
XLogP2.63
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)phenol
CID 105485759
2-(4-amino-3-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)phenol
CID 83861535
2-(3,5-dimethylpyrazol-1-yl)phenol
CID 761553
2-(3,5-dimethyl-4-piperazin-1-ylpyrazol-1-yl)phenol
CID 117124655
2-(3-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)benzonitrile
CID 105480725
3-methyl-1-(2-propan-2-ylphenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole
CID 172596733
2-(3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)benzonitrile
CID 105481974
2-(3-methyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl)aniline
CID 105486767
[2-(3-methyl-4,6-dihydrofuro[3,4-d]pyrazol-1-yl)phenyl]methanamine
CID 105486775
carbonic acid;2-(3,5-dimethylpyrazol-1-yl)phenol
CID 118510416
2-(5-acetyl-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)benzoic acid
CID 82588802
2-(benzotriazol-2-yl)phenol;ethane
CID 54470609

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4,6-dihydrothieno[3,4-d]pyrazol-1-yl)phenol?
The IUPAC name of 2-(3-methyl-4,6-dihydrothieno[3,4-d]pyrazol-1-yl)phenol (CID 105491379) is 2-(3-methyl-4,6-dihydrothieno[3,4-d]pyrazol-1-yl)phenol.
What is the SMILES notation for 2-(3-methyl-4,6-dihydrothieno[3,4-d]pyrazol-1-yl)phenol?
The canonical SMILES for 2-(3-methyl-4,6-dihydrothieno[3,4-d]pyrazol-1-yl)phenol is Cc1nn(-c2ccccc2O)c2c1CSC2.
What is the InChIKey of 2-(3-methyl-4,6-dihydrothieno[3,4-d]pyrazol-1-yl)phenol?
The InChIKey is ARIXJQVHMVYMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-8-9-6-16-7-11(9)14(13-8)10-4-2-3-5-12(10)15/h2-5,15H,6-7H2,1H3.
What are the key properties of 2-(3-methyl-4,6-dihydrothieno[3,4-d]pyrazol-1-yl)phenol?
2-(3-methyl-4,6-dihydrothieno[3,4-d]pyrazol-1-yl)phenol has a molecular weight of 232.31 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4,6-dihydrothieno[3,4-d]pyrazol-1-yl)phenol is sourced from PubChem (CID 105491379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).