2-[4-(3-cyano-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]acetic acid

C15H10N4O4 — CID 171713982

IUPAC2-[4-(3-cyano-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]acetic acid
SMILESN#Cc1c[nH]n2c(=O)cc(-c3ccc(OCC(=O)O)cc3)nc12
InChIInChI=1S/C15H10N4O4/c16-6-10-7-17-19-13(20)5-12(18-15(10)19)9-1-3-11(4-2-9)23-8-14(21)22/h1-5,7,17H,8H2,(H,21,22)
InChIKeyGZODMLXPRNAUSW-UHFFFAOYSA-N
MW310.27 g/mol
LogP1.02
Rot. Bonds4

About 2-[4-(3-cyano-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]acetic acid

2-[4-(3-cyano-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]acetic acid (PubChem CID 171713982) has the molecular formula C15H10N4O4 and a molecular weight of 310.27 g/mol. Its IUPAC name is 2-[4-(3-cyano-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(3-cyano-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]acetic acid
PubChem CID171713982
Molecular FormulaC15H10N4O4
Molecular Weight310.27 g/mol
Exact Mass310.07
IUPAC Name2-[4-(3-cyano-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]acetic acid
SMILESN#Cc1c[nH]n2c(=O)cc(-c3ccc(OCC(=O)O)cc3)nc12
InChIInChI=1S/C15H10N4O4/c16-6-10-7-17-19-13(20)5-12(18-15(10)19)9-1-3-11(4-2-9)23-8-14(21)22/h1-5,7,17H,8H2,(H,21,22)
InChIKeyGZODMLXPRNAUSW-UHFFFAOYSA-N
XLogP1.02
TPSA120.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-(3-cyano-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-cyano-4-hydroxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90111856
5-(4-chloro-3-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90109319
2-[5-(4-chloro-3-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl]acetic acid
CID 90110510
5-(4-ethylsulfanylphenyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 164541055
methyl 4-(7-oxo-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)benzoate
CID 70925637
4-[2-[4-(carboxymethoxy)phenyl]ethynyl]pyridine-2,6-dicarboxylic acid
CID 22450855
5-(hydroxymethyl)-6-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 118908453
2-[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]acetic acid
CID 45408654
2-[4-(2-methyltetrazol-5-yl)phenoxy]acetic acid
CID 28643089
2-[4-[6-[4-(carboxymethoxy)phenyl]-4-[4-(N-phenylanilino)phenyl]-2-pyridinyl]phenoxy]acetic acid
CID 19366355
5-[[1-(6-chloro-3-pyridinyl)ethylamino]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 167855187
5-[[1-(3-cyanophenyl)ethylamino]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 167852685

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-cyano-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]acetic acid?
The IUPAC name of 2-[4-(3-cyano-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]acetic acid (CID 171713982) is 2-[4-(3-cyano-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-(3-cyano-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]acetic acid?
The canonical SMILES for 2-[4-(3-cyano-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]acetic acid is N#Cc1c[nH]n2c(=O)cc(-c3ccc(OCC(=O)O)cc3)nc12.
What is the InChIKey of 2-[4-(3-cyano-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]acetic acid?
The InChIKey is GZODMLXPRNAUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O4/c16-6-10-7-17-19-13(20)5-12(18-15(10)19)9-1-3-11(4-2-9)23-8-14(21)22/h1-5,7,17H,8H2,(H,21,22).
What are the key properties of 2-[4-(3-cyano-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]acetic acid?
2-[4-(3-cyano-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]acetic acid has a molecular weight of 310.27 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-cyano-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)phenoxy]acetic acid is sourced from PubChem (CID 171713982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).