5-methoxy-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C8H6N4O2 — CID 137450042

IUPAC5-methoxy-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCOc1cc(=O)n2[nH]cc(C#N)c2n1
InChIInChI=1S/C8H6N4O2/c1-14-6-2-7(13)12-8(11-6)5(3-9)4-10-12/h2,4,10H,1H3
InChIKeyHRIKKJHEVGODIO-UHFFFAOYSA-N
MW190.16 g/mol
LogP-0.10
Rot. Bonds1

About 5-methoxy-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

5-methoxy-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 137450042) has the molecular formula C8H6N4O2 and a molecular weight of 190.16 g/mol. Its IUPAC name is 5-methoxy-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name5-methoxy-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID137450042
Molecular FormulaC8H6N4O2
Molecular Weight190.16 g/mol
Exact Mass190.05
IUPAC Name5-methoxy-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCOc1cc(=O)n2[nH]cc(C#N)c2n1
InChIInChI=1S/C8H6N4O2/c1-14-6-2-7(13)12-8(11-6)5(3-9)4-10-12/h2,4,10H,1H3
InChIKeyHRIKKJHEVGODIO-UHFFFAOYSA-N
XLogP-0.10
TPSA83.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 5-methoxy-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 137450042) is 5-methoxy-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 5-methoxy-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 5-methoxy-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is COc1cc(=O)n2[nH]cc(C#N)c2n1.
What is the InChIKey of 5-methoxy-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is HRIKKJHEVGODIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O2/c1-14-6-2-7(13)12-8(11-6)5(3-9)4-10-12/h2,4,10H,1H3.
What are the key properties of 5-methoxy-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
5-methoxy-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 190.16 g/mol, XLogP of -0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 137450042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).