4-[5-[(1-methylpyrazol-4-yl)methylsulfanyl]tetrazol-1-yl]phenol

C12H12N6OS — CID 60652367

IUPAC4-[5-[(1-methylpyrazol-4-yl)methylsulfanyl]tetrazol-1-yl]phenol
SMILESCn1cc(CSc2nnnn2-c2ccc(O)cc2)cn1
InChIInChI=1S/C12H12N6OS/c1-17-7-9(6-13-17)8-20-12-14-15-16-18(12)10-2-4-11(19)5-3-10/h2-7,19H,8H2,1H3
InChIKeyJCOAKINCWDDBOJ-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.39
Rot. Bonds4

About 4-[5-[(1-methylpyrazol-4-yl)methylsulfanyl]tetrazol-1-yl]phenol

4-[5-[(1-methylpyrazol-4-yl)methylsulfanyl]tetrazol-1-yl]phenol (PubChem CID 60652367) has the molecular formula C12H12N6OS and a molecular weight of 288.34 g/mol. Its IUPAC name is 4-[5-[(1-methylpyrazol-4-yl)methylsulfanyl]tetrazol-1-yl]phenol.

Molecular Properties

Compound Name4-[5-[(1-methylpyrazol-4-yl)methylsulfanyl]tetrazol-1-yl]phenol
PubChem CID60652367
Molecular FormulaC12H12N6OS
Molecular Weight288.34 g/mol
Exact Mass288.08
IUPAC Name4-[5-[(1-methylpyrazol-4-yl)methylsulfanyl]tetrazol-1-yl]phenol
SMILESCn1cc(CSc2nnnn2-c2ccc(O)cc2)cn1
InChIInChI=1S/C12H12N6OS/c1-17-7-9(6-13-17)8-20-12-14-15-16-18(12)10-2-4-11(19)5-3-10/h2-7,19H,8H2,1H3
InChIKeyJCOAKINCWDDBOJ-UHFFFAOYSA-N
XLogP1.39
TPSA81.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[5-[(2-chloro-4-pyridinyl)methylsulfanyl]tetrazol-1-yl]phenol
CID 62044804
4-[5-(1-methyltetrazol-5-yl)sulfanyltetrazol-1-yl]phenol
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4-[5-[(2R)-2-hydroxypropyl]sulfanyltetrazol-1-yl]phenol
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4-[5-[(5-bromo-2-pyridinyl)methylsulfanyl]tetrazol-1-yl]phenol
CID 115622324
4-[5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]tetrazol-1-yl]phenol
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4-[5-(2,2-difluoroethylsulfanyl)tetrazol-1-yl]phenol
CID 54937608
4-[5-(2-ethylsulfonylethylsulfanyl)tetrazol-1-yl]phenol
CID 60801602
4-[5-[3-(dimethylamino)propylsulfanyl]tetrazol-1-yl]phenol
CID 115872263
4-[5-[(5-aminothiadiazol-4-yl)methylsulfanyl]tetrazol-1-yl]phenol
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2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-1-pyrrolidin-1-ylethanone
CID 7474216
4-[5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)tetrazol-1-yl]phenol
CID 51141746
5-[(4-bromophenyl)methylsulfanyl]-1-(4-methylphenyl)tetrazole
CID 2615935

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(1-methylpyrazol-4-yl)methylsulfanyl]tetrazol-1-yl]phenol?
The IUPAC name of 4-[5-[(1-methylpyrazol-4-yl)methylsulfanyl]tetrazol-1-yl]phenol (CID 60652367) is 4-[5-[(1-methylpyrazol-4-yl)methylsulfanyl]tetrazol-1-yl]phenol.
What is the SMILES notation for 4-[5-[(1-methylpyrazol-4-yl)methylsulfanyl]tetrazol-1-yl]phenol?
The canonical SMILES for 4-[5-[(1-methylpyrazol-4-yl)methylsulfanyl]tetrazol-1-yl]phenol is Cn1cc(CSc2nnnn2-c2ccc(O)cc2)cn1.
What is the InChIKey of 4-[5-[(1-methylpyrazol-4-yl)methylsulfanyl]tetrazol-1-yl]phenol?
The InChIKey is JCOAKINCWDDBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6OS/c1-17-7-9(6-13-17)8-20-12-14-15-16-18(12)10-2-4-11(19)5-3-10/h2-7,19H,8H2,1H3.
What are the key properties of 4-[5-[(1-methylpyrazol-4-yl)methylsulfanyl]tetrazol-1-yl]phenol?
4-[5-[(1-methylpyrazol-4-yl)methylsulfanyl]tetrazol-1-yl]phenol has a molecular weight of 288.34 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(1-methylpyrazol-4-yl)methylsulfanyl]tetrazol-1-yl]phenol is sourced from PubChem (CID 60652367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).