1-oxo-5-[5-(1H-pyrazol-4-yl)indazol-1-yl]-1,2-thiazol-3-one

C13H9N5O2S — CID 140960313

IUPAC1-oxo-5-[5-(1H-pyrazol-4-yl)indazol-1-yl]-1,2-thiazol-3-one
SMILESO=C1C=C(n2ncc3cc(-c4cn[nH]c4)ccc32)S(=O)N1
InChIInChI=1S/C13H9N5O2S/c19-12-4-13(21(20)17-12)18-11-2-1-8(3-9(11)7-16-18)10-5-14-15-6-10/h1-7H,(H,14,15)(H,17,19)
InChIKeyRSASUENXCXMOKM-UHFFFAOYSA-N
MW299.32 g/mol
LogP1.02
Rot. Bonds2

About 1-oxo-5-[5-(1H-pyrazol-4-yl)indazol-1-yl]-1,2-thiazol-3-one

1-oxo-5-[5-(1H-pyrazol-4-yl)indazol-1-yl]-1,2-thiazol-3-one (PubChem CID 140960313) has the molecular formula C13H9N5O2S and a molecular weight of 299.32 g/mol. Its IUPAC name is 1-oxo-5-[5-(1H-pyrazol-4-yl)indazol-1-yl]-1,2-thiazol-3-one.

Molecular Properties

Compound Name1-oxo-5-[5-(1H-pyrazol-4-yl)indazol-1-yl]-1,2-thiazol-3-one
PubChem CID140960313
Molecular FormulaC13H9N5O2S
Molecular Weight299.32 g/mol
Exact Mass299.05
IUPAC Name1-oxo-5-[5-(1H-pyrazol-4-yl)indazol-1-yl]-1,2-thiazol-3-one
SMILESO=C1C=C(n2ncc3cc(-c4cn[nH]c4)ccc32)S(=O)N1
InChIInChI=1S/C13H9N5O2S/c19-12-4-13(21(20)17-12)18-11-2-1-8(3-9(11)7-16-18)10-5-14-15-6-10/h1-7H,(H,14,15)(H,17,19)
InChIKeyRSASUENXCXMOKM-UHFFFAOYSA-N
XLogP1.02
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[5-(6-methoxypyridazin-3-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960421
5-(5-methylindazol-1-yl)-1-oxo-1,2-thiazol-3-one
CID 140960375
1-oxo-5-[5-[3-(2-oxopropyl)phenyl]indazol-1-yl]-1,2-thiazol-3-one
CID 159323023
5-[5-(5-morpholin-4-ylpyrazin-2-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960413
5-[5-[3-(morpholin-4-ylmethyl)phenyl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960539
5-[5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960349
5-[5-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960429
5-[5-(2-methylindazol-4-yl)indazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960505
4-[7-(1H-pyrazol-4-yl)naphthalen-2-yl]-1H-pyrazole
CID 168867710
1-methyl-5-(1H-pyrazol-4-yl)indole
CID 145005318
5-(5-methyl-3-phenylpyrazol-1-yl)-1-oxo-1,2-thiazol-3-one
CID 140960441
5-[5-(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)pyrazolo[3,4-c]pyridin-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960328

Frequently Asked Questions

What is the IUPAC name of 1-oxo-5-[5-(1H-pyrazol-4-yl)indazol-1-yl]-1,2-thiazol-3-one?
The IUPAC name of 1-oxo-5-[5-(1H-pyrazol-4-yl)indazol-1-yl]-1,2-thiazol-3-one (CID 140960313) is 1-oxo-5-[5-(1H-pyrazol-4-yl)indazol-1-yl]-1,2-thiazol-3-one.
What is the SMILES notation for 1-oxo-5-[5-(1H-pyrazol-4-yl)indazol-1-yl]-1,2-thiazol-3-one?
The canonical SMILES for 1-oxo-5-[5-(1H-pyrazol-4-yl)indazol-1-yl]-1,2-thiazol-3-one is O=C1C=C(n2ncc3cc(-c4cn[nH]c4)ccc32)S(=O)N1.
What is the InChIKey of 1-oxo-5-[5-(1H-pyrazol-4-yl)indazol-1-yl]-1,2-thiazol-3-one?
The InChIKey is RSASUENXCXMOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5O2S/c19-12-4-13(21(20)17-12)18-11-2-1-8(3-9(11)7-16-18)10-5-14-15-6-10/h1-7H,(H,14,15)(H,17,19).
What are the key properties of 1-oxo-5-[5-(1H-pyrazol-4-yl)indazol-1-yl]-1,2-thiazol-3-one?
1-oxo-5-[5-(1H-pyrazol-4-yl)indazol-1-yl]-1,2-thiazol-3-one has a molecular weight of 299.32 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-5-[5-(1H-pyrazol-4-yl)indazol-1-yl]-1,2-thiazol-3-one is sourced from PubChem (CID 140960313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).