6-ethyl-7-oxo-5-(1H-pyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C12H10N6O — CID 90454690

IUPAC6-ethyl-7-oxo-5-(1H-pyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCCc1c(-c2cn[nH]c2)nc2c(C#N)c[nH]n2c1=O
InChIInChI=1S/C12H10N6O/c1-2-9-10(8-4-14-15-5-8)17-11-7(3-13)6-16-18(11)12(9)19/h4-6,16H,2H2,1H3,(H,14,15)
InChIKeyGAUQAHHPLIODHW-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.85
Rot. Bonds2

About 6-ethyl-7-oxo-5-(1H-pyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

6-ethyl-7-oxo-5-(1H-pyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 90454690) has the molecular formula C12H10N6O and a molecular weight of 254.25 g/mol. Its IUPAC name is 6-ethyl-7-oxo-5-(1H-pyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name6-ethyl-7-oxo-5-(1H-pyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID90454690
Molecular FormulaC12H10N6O
Molecular Weight254.25 g/mol
Exact Mass254.09
IUPAC Name6-ethyl-7-oxo-5-(1H-pyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCCc1c(-c2cn[nH]c2)nc2c(C#N)c[nH]n2c1=O
InChIInChI=1S/C12H10N6O/c1-2-9-10(8-4-14-15-5-8)17-11-7(3-13)6-16-18(11)12(9)19/h4-6,16H,2H2,1H3,(H,14,15)
InChIKeyGAUQAHHPLIODHW-UHFFFAOYSA-N
XLogP0.85
TPSA102.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-7-oxo-5-(1H-pyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 6-ethyl-7-oxo-5-(1H-pyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 90454690) is 6-ethyl-7-oxo-5-(1H-pyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 6-ethyl-7-oxo-5-(1H-pyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 6-ethyl-7-oxo-5-(1H-pyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is CCc1c(-c2cn[nH]c2)nc2c(C#N)c[nH]n2c1=O.
What is the InChIKey of 6-ethyl-7-oxo-5-(1H-pyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is GAUQAHHPLIODHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6O/c1-2-9-10(8-4-14-15-5-8)17-11-7(3-13)6-16-18(11)12(9)19/h4-6,16H,2H2,1H3,(H,14,15).
What are the key properties of 6-ethyl-7-oxo-5-(1H-pyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
6-ethyl-7-oxo-5-(1H-pyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 254.25 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-7-oxo-5-(1H-pyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 90454690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).