5-sulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C6H5N3OS — CID 58375428

IUPAC5-sulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(S)nc2cc[nH]n12
InChIInChI=1S/C6H5N3OS/c10-6-3-5(11)8-4-1-2-7-9(4)6/h1-3,7,11H
InChIKeyBMCMUCONKIAFAV-UHFFFAOYSA-N
MW167.19 g/mol
LogP0.31
Rot. Bonds

About 5-sulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-sulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 58375428) has the molecular formula C6H5N3OS and a molecular weight of 167.19 g/mol. Its IUPAC name is 5-sulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-sulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID58375428
Molecular FormulaC6H5N3OS
Molecular Weight167.19 g/mol
Exact Mass167.02
IUPAC Name5-sulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(S)nc2cc[nH]n12
InChIInChI=1S/C6H5N3OS/c10-6-3-5(11)8-4-1-2-7-9(4)6/h1-3,7,11H
InChIKeyBMCMUCONKIAFAV-UHFFFAOYSA-N
XLogP0.31
TPSA50.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

Pyrazolo[1,5-a]pyrimidin-7-ol
CID 335418
5-methyl-4H,7H-pyrazolo[1,5-a]pyrimidin-7-one
CID 10534815
5-chloro-4H,7H-pyrazolo[1,5-a]pyrimidin-7-one
CID 13465974
5-Methoxypyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 11062736
5-Aminopyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 13396556
5-(Methylsulfanyl)pyrazolo[1,5-a]pyrimidin-7(4h)-one
CID 58375407
5-fluoro-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 177088883
2-Bromopyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 46180048
5-(sulfanylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 91265142
2-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 118167245
ethane;5-sulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 123701594
2-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 140999303

Frequently Asked Questions

What is the IUPAC name of 5-sulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-sulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 58375428) is 5-sulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-sulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-sulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1cc(S)nc2cc[nH]n12.
What is the InChIKey of 5-sulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is BMCMUCONKIAFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3OS/c10-6-3-5(11)8-4-1-2-7-9(4)6/h1-3,7,11H.
What are the key properties of 5-sulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-sulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 167.19 g/mol, XLogP of 0.31, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-sulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 58375428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).