7-oxo-5-phenyl-6-prop-1-en-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C16H12N4O — CID 90454806

IUPAC7-oxo-5-phenyl-6-prop-1-en-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESC=C(C)c1c(-c2ccccc2)nc2c(C#N)c[nH]n2c1=O
InChIInChI=1S/C16H12N4O/c1-10(2)13-14(11-6-4-3-5-7-11)19-15-12(8-17)9-18-20(15)16(13)21/h3-7,9,18H,1H2,2H3
InChIKeyFVKNWGFXHJBLLZ-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.59
Rot. Bonds2

About 7-oxo-5-phenyl-6-prop-1-en-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

7-oxo-5-phenyl-6-prop-1-en-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 90454806) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 7-oxo-5-phenyl-6-prop-1-en-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name7-oxo-5-phenyl-6-prop-1-en-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID90454806
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name7-oxo-5-phenyl-6-prop-1-en-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESC=C(C)c1c(-c2ccccc2)nc2c(C#N)c[nH]n2c1=O
InChIInChI=1S/C16H12N4O/c1-10(2)13-14(11-6-4-3-5-7-11)19-15-12(8-17)9-18-20(15)16(13)21/h3-7,9,18H,1H2,2H3
InChIKeyFVKNWGFXHJBLLZ-UHFFFAOYSA-N
XLogP2.59
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-oxo-5-phenyl-6-prop-1-en-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile with MolForge

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Related Compounds

6-Isopropyl-7-oxo-5-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 78426698
6-Ethyl-7-oxo-5-o-tolyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90442348
6-Ethyl-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-ol
CID 684434
Pyrazolo[1,5-a]pyrimidin-7(4H)-one, 2-methyl-5-phenyl-
CID 2818813
5-methyl-2-phenyl-4H,7H-pyrazolo(1,5-a)pyrimidin-7-one
CID 737203
3-Methyl-2-p-tolyl-5,6,7,8-tetrahydro-pyrazolo[5,1-b]quinazolin-9-ol
CID 656272
5-Chloro-7-Hydroxy-6-(Phenylmethyl)pyrazolo[1,5-A]pyrimidine-3-Carbonitrile
CID 53338872
5-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 5039735
6-Allyl-5-methyl-2-p-tolyl-pyrazolo[1,5-a]pyrimidin-7-ol
CID 793400
2-(4-Fluoro-phenyl)-5,6-dimethyl-pyrazolo[1,5-a]pyrimidin-7-ol
CID 804445
5-ethyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 17584764
2-(4-Iodo-phenyl)-5,6-dimethyl-pyrazolo[1,5-a]pyrimidin-7-ol
CID 632552

Frequently Asked Questions

What is the IUPAC name of 7-oxo-5-phenyl-6-prop-1-en-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 7-oxo-5-phenyl-6-prop-1-en-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 90454806) is 7-oxo-5-phenyl-6-prop-1-en-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 7-oxo-5-phenyl-6-prop-1-en-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 7-oxo-5-phenyl-6-prop-1-en-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is C=C(C)c1c(-c2ccccc2)nc2c(C#N)c[nH]n2c1=O.
What is the InChIKey of 7-oxo-5-phenyl-6-prop-1-en-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is FVKNWGFXHJBLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c1-10(2)13-14(11-6-4-3-5-7-11)19-15-12(8-17)9-18-20(15)16(13)21/h3-7,9,18H,1H2,2H3.
What are the key properties of 7-oxo-5-phenyl-6-prop-1-en-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
7-oxo-5-phenyl-6-prop-1-en-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 276.30 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-5-phenyl-6-prop-1-en-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 90454806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).