7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid

C10H11N3O3 — CID 84686494

IUPAC7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCC(C)c1c(C(=O)O)nc2cc[nH]n2c1=O
InChIInChI=1S/C10H11N3O3/c1-5(2)7-8(10(15)16)12-6-3-4-11-13(6)9(7)14/h3-5,11H,1-2H3,(H,15,16)
InChIKeyORPPKGVLNCDGRX-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.84
Rot. Bonds2

About 7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid

7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 84686494) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID84686494
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCC(C)c1c(C(=O)O)nc2cc[nH]n2c1=O
InChIInChI=1S/C10H11N3O3/c1-5(2)7-8(10(15)16)12-6-3-4-11-13(6)9(7)14/h3-5,11H,1-2H3,(H,15,16)
InChIKeyORPPKGVLNCDGRX-UHFFFAOYSA-N
XLogP0.84
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 84686494) is 7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid is CC(C)c1c(C(=O)O)nc2cc[nH]n2c1=O.
What is the InChIKey of 7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is ORPPKGVLNCDGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-5(2)7-8(10(15)16)12-6-3-4-11-13(6)9(7)14/h3-5,11H,1-2H3,(H,15,16).
What are the key properties of 7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 221.22 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 84686494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).