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

C14H9N5O3 — CID 90111558

IUPAC5-(3-cyano-4-hydroxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESN#Cc1cc(-c2cc(=O)n3[nH]cc(C(N)=O)c3n2)ccc1O
InChIInChI=1S/C14H9N5O3/c15-5-8-3-7(1-2-11(8)20)10-4-12(21)19-14(18-10)9(6-17-19)13(16)22/h1-4,6,17,20H,(H2,16,22)
InChIKeyRMCVPOINFHPCCV-UHFFFAOYSA-N
MW295.26 g/mol
LogP0.37
Rot. Bonds2

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

5-(3-cyano-4-hydroxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90111558) has the molecular formula C14H9N5O3 and a molecular weight of 295.26 g/mol. Its IUPAC name is 5-(3-cyano-4-hydroxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-(3-cyano-4-hydroxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90111558
Molecular FormulaC14H9N5O3
Molecular Weight295.26 g/mol
Exact Mass295.07
IUPAC Name5-(3-cyano-4-hydroxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESN#Cc1cc(-c2cc(=O)n3[nH]cc(C(N)=O)c3n2)ccc1O
InChIInChI=1S/C14H9N5O3/c15-5-8-3-7(1-2-11(8)20)10-4-12(21)19-14(18-10)9(6-17-19)13(16)22/h1-4,6,17,20H,(H2,16,22)
InChIKeyRMCVPOINFHPCCV-UHFFFAOYSA-N
XLogP0.37
TPSA137.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-cyano-4-hydroxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-(3-cyano-4-hydroxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90111558) is 5-(3-cyano-4-hydroxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-(3-cyano-4-hydroxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-(3-cyano-4-hydroxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is N#Cc1cc(-c2cc(=O)n3[nH]cc(C(N)=O)c3n2)ccc1O.
What is the InChIKey of 5-(3-cyano-4-hydroxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is RMCVPOINFHPCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N5O3/c15-5-8-3-7(1-2-11(8)20)10-4-12(21)19-14(18-10)9(6-17-19)13(16)22/h1-4,6,17,20H,(H2,16,22).
What are the key properties of 5-(3-cyano-4-hydroxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-(3-cyano-4-hydroxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 295.26 g/mol, XLogP of 0.37, 2 rotatable bonds, 3 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-carboxamide is sourced from PubChem (CID 90111558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).