2-phenyl-5-thiophen-2-yl-6H-pyrazolo[4,3-d]pyrimidin-7-one

C15H10N4OS — CID 137189869

IUPAC2-phenyl-5-thiophen-2-yl-6H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESO=c1[nH]c(-c2cccs2)nc2cn(-c3ccccc3)nc12
InChIInChI=1S/C15H10N4OS/c20-15-13-11(16-14(17-15)12-7-4-8-21-12)9-19(18-13)10-5-2-1-3-6-10/h1-9H,(H,16,17,20)
InChIKeyNXHVWKIBBMWVKA-UHFFFAOYSA-N
MW294.34 g/mol
LogP2.84
Rot. Bonds2

About 2-phenyl-5-thiophen-2-yl-6H-pyrazolo[4,3-d]pyrimidin-7-one

2-phenyl-5-thiophen-2-yl-6H-pyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 137189869) has the molecular formula C15H10N4OS and a molecular weight of 294.34 g/mol. Its IUPAC name is 2-phenyl-5-thiophen-2-yl-6H-pyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-phenyl-5-thiophen-2-yl-6H-pyrazolo[4,3-d]pyrimidin-7-one
PubChem CID137189869
Molecular FormulaC15H10N4OS
Molecular Weight294.34 g/mol
Exact Mass294.06
IUPAC Name2-phenyl-5-thiophen-2-yl-6H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESO=c1[nH]c(-c2cccs2)nc2cn(-c3ccccc3)nc12
InChIInChI=1S/C15H10N4OS/c20-15-13-11(16-14(17-15)12-7-4-8-21-12)9-19(18-13)10-5-2-1-3-6-10/h1-9H,(H,16,17,20)
InChIKeyNXHVWKIBBMWVKA-UHFFFAOYSA-N
XLogP2.84
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-2H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
CID 135911551
N-[4-(3-methylpyrazol-1-yl)phenyl]thiophene-2-carboxamide
CID 5298288
5-methyl-2-phenyl-2H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
CID 135911552
5-ethyl-2-phenyl-2H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
CID 135911553
1-(2-fluorophenyl)-N,5-dimethyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]pyrazole-4-carboxamide
CID 135898109
1-(2,4-difluorophenyl)-N,5-dimethyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]pyrazole-4-carboxamide
CID 135949705
1-(1-(4-(4-fluorophenylthio)phenyl)-3-carbamoyl-1H-pyrazol-4-yl)urea
CID 60032309
1-(1-(4-(3-fluorophenylthio)phenyl)-3-carbamoyl-1H-pyrazol-4-yl)urea
CID 60032361
1-(1-(4-(2-fluorophenylthio)phenyl)-3-carbamoyl-1H-pyrazol-4-yl)urea
CID 60032399
1-(4-fluorophenyl)-N-[3-(thiophene-2-carbonylamino)phenyl]pyrazole-3-carboxamide
CID 40167216
1-(4-fluorophenyl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]pyrazole-3-carboxamide
CID 46429870
1-(4-fluorophenyl)-N-(2-thiophen-2-ylethyl)pyrazole-3-carboxamide
CID 46450451

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-thiophen-2-yl-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 2-phenyl-5-thiophen-2-yl-6H-pyrazolo[4,3-d]pyrimidin-7-one (CID 137189869) is 2-phenyl-5-thiophen-2-yl-6H-pyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-phenyl-5-thiophen-2-yl-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 2-phenyl-5-thiophen-2-yl-6H-pyrazolo[4,3-d]pyrimidin-7-one is O=c1[nH]c(-c2cccs2)nc2cn(-c3ccccc3)nc12.
What is the InChIKey of 2-phenyl-5-thiophen-2-yl-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is NXHVWKIBBMWVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4OS/c20-15-13-11(16-14(17-15)12-7-4-8-21-12)9-19(18-13)10-5-2-1-3-6-10/h1-9H,(H,16,17,20).
What are the key properties of 2-phenyl-5-thiophen-2-yl-6H-pyrazolo[4,3-d]pyrimidin-7-one?
2-phenyl-5-thiophen-2-yl-6H-pyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 294.34 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-thiophen-2-yl-6H-pyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 137189869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).