5-(3-cyano-4-hydroxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C14H7N5O2 — CID 90111856

IUPAC5-(3-cyano-4-hydroxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cc(-c2cc(=O)n3[nH]cc(C#N)c3n2)ccc1O
InChIInChI=1S/C14H7N5O2/c15-5-9-3-8(1-2-12(9)20)11-4-13(21)19-14(18-11)10(6-16)7-17-19/h1-4,7,17,20H
InChIKeyZZGDSRVGWUVEJK-UHFFFAOYSA-N
MW277.24 g/mol
LogP1.14
Rot. Bonds1

About 5-(3-cyano-4-hydroxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

5-(3-cyano-4-hydroxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 90111856) has the molecular formula C14H7N5O2 and a molecular weight of 277.24 g/mol. Its IUPAC name is 5-(3-cyano-4-hydroxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name5-(3-cyano-4-hydroxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID90111856
Molecular FormulaC14H7N5O2
Molecular Weight277.24 g/mol
Exact Mass277.06
IUPAC Name5-(3-cyano-4-hydroxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cc(-c2cc(=O)n3[nH]cc(C#N)c3n2)ccc1O
InChIInChI=1S/C14H7N5O2/c15-5-9-3-8(1-2-12(9)20)11-4-13(21)19-14(18-11)10(6-16)7-17-19/h1-4,7,17,20H
InChIKeyZZGDSRVGWUVEJK-UHFFFAOYSA-N
XLogP1.14
TPSA117.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-hydroxy-5-(6-oxo-1H-pyrimidin-2-yl)benzonitrile
CID 164613320
5-(3-Cyano-4-hydroxyphenyl)-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90111558
5-(3-hydroxyphenyl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454612
5-[3-(hydroxymethyl)-4-methoxyphenyl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454732
5-(4-methoxy-3-methylphenyl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 118908382
2-(2-hydroxyphenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 135972586
2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-(4-hydroxyphenyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;tungsten;hydrate
CID 176950072
2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-(4-hydroxyphenyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 176950073

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyano-4-hydroxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 5-(3-cyano-4-hydroxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 90111856) is 5-(3-cyano-4-hydroxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 5-(3-cyano-4-hydroxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 5-(3-cyano-4-hydroxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is N#Cc1cc(-c2cc(=O)n3[nH]cc(C#N)c3n2)ccc1O.
What is the InChIKey of 5-(3-cyano-4-hydroxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is ZZGDSRVGWUVEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7N5O2/c15-5-9-3-8(1-2-12(9)20)11-4-13(21)19-14(18-11)10(6-16)7-17-19/h1-4,7,17,20H.
What are the key properties of 5-(3-cyano-4-hydroxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
5-(3-cyano-4-hydroxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 277.24 g/mol, XLogP of 1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyano-4-hydroxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 90111856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).