7-oxo-5-(1-phenylpyrazol-4-yl)-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C19H16N6O — CID 90454565

IUPAC7-oxo-5-(1-phenylpyrazol-4-yl)-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCC(C)c1c(-c2cnn(-c3ccccc3)c2)nc2c(C#N)c[nH]n2c1=O
InChIInChI=1S/C19H16N6O/c1-12(2)16-17(23-18-13(8-20)9-22-25(18)19(16)26)14-10-21-24(11-14)15-6-4-3-5-7-15/h3-7,9-12,22H,1-2H3
InChIKeyGWFPQRMAMUVBGC-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.87
Rot. Bonds3

About 7-oxo-5-(1-phenylpyrazol-4-yl)-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

7-oxo-5-(1-phenylpyrazol-4-yl)-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 90454565) has the molecular formula C19H16N6O and a molecular weight of 344.38 g/mol. Its IUPAC name is 7-oxo-5-(1-phenylpyrazol-4-yl)-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name7-oxo-5-(1-phenylpyrazol-4-yl)-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID90454565
Molecular FormulaC19H16N6O
Molecular Weight344.38 g/mol
Exact Mass344.14
IUPAC Name7-oxo-5-(1-phenylpyrazol-4-yl)-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCC(C)c1c(-c2cnn(-c3ccccc3)c2)nc2c(C#N)c[nH]n2c1=O
InChIInChI=1S/C19H16N6O/c1-12(2)16-17(23-18-13(8-20)9-22-25(18)19(16)26)14-10-21-24(11-14)15-6-4-3-5-7-15/h3-7,9-12,22H,1-2H3
InChIKeyGWFPQRMAMUVBGC-UHFFFAOYSA-N
XLogP2.87
TPSA91.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1-benzylpyrazol-4-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454627
5-(1-methylpyrazol-4-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454574
7-oxo-5-(1-phenylpyrazol-3-yl)-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 78426980
7-oxo-6-propan-2-yl-5-(3-pyrazol-1-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454849
5-(1-cyclopropylpyrazol-4-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 155533785
5-(4-aminophenyl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454741
5-[1-(2-cyclopropylethyl)pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454617
7-oxo-6-propan-2-yl-5-[1-(thiophen-3-ylmethyl)pyrazol-4-yl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454665
5-(3-cyano-4-methylphenyl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454641
5-(3,5-dichlorophenyl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454371
6-(1-hydroxypropan-2-yl)-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454701
5-(3,4-dimethoxyphenyl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454687

Frequently Asked Questions

What is the IUPAC name of 7-oxo-5-(1-phenylpyrazol-4-yl)-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 7-oxo-5-(1-phenylpyrazol-4-yl)-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 90454565) is 7-oxo-5-(1-phenylpyrazol-4-yl)-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 7-oxo-5-(1-phenylpyrazol-4-yl)-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 7-oxo-5-(1-phenylpyrazol-4-yl)-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is CC(C)c1c(-c2cnn(-c3ccccc3)c2)nc2c(C#N)c[nH]n2c1=O.
What is the InChIKey of 7-oxo-5-(1-phenylpyrazol-4-yl)-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is GWFPQRMAMUVBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O/c1-12(2)16-17(23-18-13(8-20)9-22-25(18)19(16)26)14-10-21-24(11-14)15-6-4-3-5-7-15/h3-7,9-12,22H,1-2H3.
What are the key properties of 7-oxo-5-(1-phenylpyrazol-4-yl)-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
7-oxo-5-(1-phenylpyrazol-4-yl)-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 344.38 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-5-(1-phenylpyrazol-4-yl)-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 90454565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).