1,9-dimethyl-6H-pyrazolo[4,5-c]phenothiazine

C15H13N3S — CID 638557

IUPAC1,9-dimethyl-6H-pyrazolo[4,5-c]phenothiazine
SMILESCc1ccc2c(c1)Sc1c(ccc3cnn(C)c13)N2
InChIInChI=1S/C15H13N3S/c1-9-3-5-11-13(7-9)19-15-12(17-11)6-4-10-8-16-18(2)14(10)15/h3-8,17H,1-2H3
InChIKeyYIBWSTWICHPDNC-UHFFFAOYSA-N
MW267.36 g/mol
LogP4.09
Rot. Bonds

About 1,9-dimethyl-6H-pyrazolo[4,5-c]phenothiazine

1,9-dimethyl-6H-pyrazolo[4,5-c]phenothiazine (PubChem CID 638557) has the molecular formula C15H13N3S and a molecular weight of 267.36 g/mol. Its IUPAC name is 1,9-dimethyl-6H-pyrazolo[4,5-c]phenothiazine.

Molecular Properties

Compound Name1,9-dimethyl-6H-pyrazolo[4,5-c]phenothiazine
PubChem CID638557
Molecular FormulaC15H13N3S
Molecular Weight267.36 g/mol
Exact Mass267.08
IUPAC Name1,9-dimethyl-6H-pyrazolo[4,5-c]phenothiazine
SMILESCc1ccc2c(c1)Sc1c(ccc3cnn(C)c13)N2
InChIInChI=1S/C15H13N3S/c1-9-3-5-11-13(7-9)19-15-12(17-11)6-4-10-8-16-18(2)14(10)15/h3-8,17H,1-2H3
InChIKeyYIBWSTWICHPDNC-UHFFFAOYSA-N
XLogP4.09
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,9-dimethyl-6H-pyrazolo[4,5-c]phenothiazine?
The IUPAC name of 1,9-dimethyl-6H-pyrazolo[4,5-c]phenothiazine (CID 638557) is 1,9-dimethyl-6H-pyrazolo[4,5-c]phenothiazine.
What is the SMILES notation for 1,9-dimethyl-6H-pyrazolo[4,5-c]phenothiazine?
The canonical SMILES for 1,9-dimethyl-6H-pyrazolo[4,5-c]phenothiazine is Cc1ccc2c(c1)Sc1c(ccc3cnn(C)c13)N2.
What is the InChIKey of 1,9-dimethyl-6H-pyrazolo[4,5-c]phenothiazine?
The InChIKey is YIBWSTWICHPDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3S/c1-9-3-5-11-13(7-9)19-15-12(17-11)6-4-10-8-16-18(2)14(10)15/h3-8,17H,1-2H3.
What are the key properties of 1,9-dimethyl-6H-pyrazolo[4,5-c]phenothiazine?
1,9-dimethyl-6H-pyrazolo[4,5-c]phenothiazine has a molecular weight of 267.36 g/mol, XLogP of 4.09, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dimethyl-6H-pyrazolo[4,5-c]phenothiazine is sourced from PubChem (CID 638557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).