7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonitrile

C7H4N4O — CID 10997327

IUPAC7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESN#Cc1cnc2cc[nH]n2c1=O
InChIInChI=1S/C7H4N4O/c8-3-5-4-9-6-1-2-10-11(6)7(5)12/h1-2,4,10H
InChIKeyPWHSAQWKNBFHGC-UHFFFAOYSA-N
MW160.14 g/mol
LogP-0.11
Rot. Bonds

About 7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonitrile

7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonitrile (PubChem CID 10997327) has the molecular formula C7H4N4O and a molecular weight of 160.14 g/mol. Its IUPAC name is 7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonitrile
PubChem CID10997327
Molecular FormulaC7H4N4O
Molecular Weight160.14 g/mol
Exact Mass160.04
IUPAC Name7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESN#Cc1cnc2cc[nH]n2c1=O
InChIInChI=1S/C7H4N4O/c8-3-5-4-9-6-1-2-10-11(6)7(5)12/h1-2,4,10H
InChIKeyPWHSAQWKNBFHGC-UHFFFAOYSA-N
XLogP-0.11
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.14
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The IUPAC name of 7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonitrile (CID 10997327) is 7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonitrile is N#Cc1cnc2cc[nH]n2c1=O.
What is the InChIKey of 7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The InChIKey is PWHSAQWKNBFHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N4O/c8-3-5-4-9-6-1-2-10-11(6)7(5)12/h1-2,4,10H.
What are the key properties of 7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonitrile has a molecular weight of 160.14 g/mol, XLogP of -0.11, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 10997327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).