6-ethyl-5-(2-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C16H14N4O — CID 90442348

IUPAC6-ethyl-5-(2-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCCc1c(-c2ccccc2C)nc2c(C#N)c[nH]n2c1=O
InChIInChI=1S/C16H14N4O/c1-3-12-14(13-7-5-4-6-10(13)2)19-15-11(8-17)9-18-20(15)16(12)21/h4-7,9,18H,3H2,1-2H3
InChIKeyQMUCSMPNEDSGPT-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.43
Rot. Bonds2

About 6-ethyl-5-(2-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

6-ethyl-5-(2-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 90442348) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 6-ethyl-5-(2-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name6-ethyl-5-(2-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID90442348
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name6-ethyl-5-(2-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCCc1c(-c2ccccc2C)nc2c(C#N)c[nH]n2c1=O
InChIInChI=1S/C16H14N4O/c1-3-12-14(13-7-5-4-6-10(13)2)19-15-11(8-17)9-18-20(15)16(12)21/h4-7,9,18H,3H2,1-2H3
InChIKeyQMUCSMPNEDSGPT-UHFFFAOYSA-N
XLogP2.43
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-(2-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 6-ethyl-5-(2-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 90442348) is 6-ethyl-5-(2-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 6-ethyl-5-(2-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 6-ethyl-5-(2-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is CCc1c(-c2ccccc2C)nc2c(C#N)c[nH]n2c1=O.
What is the InChIKey of 6-ethyl-5-(2-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is QMUCSMPNEDSGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-3-12-14(13-7-5-4-6-10(13)2)19-15-11(8-17)9-18-20(15)16(12)21/h4-7,9,18H,3H2,1-2H3.
What are the key properties of 6-ethyl-5-(2-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
6-ethyl-5-(2-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 278.31 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-(2-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 90442348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).