2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C9H8N4O — CID 5007307

IUPAC2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1cc(=O)n2[nH]c(C)c(C#N)c2n1
InChIInChI=1S/C9H8N4O/c1-5-3-8(14)13-9(11-5)7(4-10)6(2)12-13/h3,12H,1-2H3
InChIKeyCJELVTKRNGLVSQ-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.51
Rot. Bonds

About 2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 5007307) has the molecular formula C9H8N4O and a molecular weight of 188.19 g/mol. Its IUPAC name is 2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID5007307
Molecular FormulaC9H8N4O
Molecular Weight188.19 g/mol
Exact Mass188.07
IUPAC Name2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1cc(=O)n2[nH]c(C)c(C#N)c2n1
InChIInChI=1S/C9H8N4O/c1-5-3-8(14)13-9(11-5)7(4-10)6(2)12-13/h3,12H,1-2H3
InChIKeyCJELVTKRNGLVSQ-UHFFFAOYSA-N
XLogP0.51
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 5007307) is 2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is Cc1cc(=O)n2[nH]c(C)c(C#N)c2n1.
What is the InChIKey of 2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is CJELVTKRNGLVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O/c1-5-3-8(14)13-9(11-5)7(4-10)6(2)12-13/h3,12H,1-2H3.
What are the key properties of 2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 188.19 g/mol, XLogP of 0.51, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 5007307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).