7-oxo-6-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C10H6N6O — CID 10846845

IUPAC7-oxo-6-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1c[nH]n2c(=O)c(-c3ccn[nH]3)cnc12
InChIInChI=1S/C10H6N6O/c11-3-6-4-14-16-9(6)12-5-7(10(16)17)8-1-2-13-15-8/h1-2,4-5,14H,(H,13,15)
InChIKeyMOUAALSAVCQEGF-UHFFFAOYSA-N
MW226.20 g/mol
LogP0.28
Rot. Bonds1

About 7-oxo-6-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

7-oxo-6-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 10846845) has the molecular formula C10H6N6O and a molecular weight of 226.20 g/mol. Its IUPAC name is 7-oxo-6-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name7-oxo-6-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID10846845
Molecular FormulaC10H6N6O
Molecular Weight226.20 g/mol
Exact Mass226.06
IUPAC Name7-oxo-6-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1c[nH]n2c(=O)c(-c3ccn[nH]3)cnc12
InChIInChI=1S/C10H6N6O/c11-3-6-4-14-16-9(6)12-5-7(10(16)17)8-1-2-13-15-8/h1-2,4-5,14H,(H,13,15)
InChIKeyMOUAALSAVCQEGF-UHFFFAOYSA-N
XLogP0.28
TPSA102.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-oxo-6-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 7-oxo-6-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 10846845) is 7-oxo-6-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 7-oxo-6-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 7-oxo-6-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is N#Cc1c[nH]n2c(=O)c(-c3ccn[nH]3)cnc12.
What is the InChIKey of 7-oxo-6-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is MOUAALSAVCQEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N6O/c11-3-6-4-14-16-9(6)12-5-7(10(16)17)8-1-2-13-15-8/h1-2,4-5,14H,(H,13,15).
What are the key properties of 7-oxo-6-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
7-oxo-6-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 226.20 g/mol, XLogP of 0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-6-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 10846845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).