7-(furan-2-yl)-2-methyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile

C13H10N4OS — CID 2819133

IUPAC7-(furan-2-yl)-2-methyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCSc1nc2cc(C)nn2c(-c2ccco2)c1C#N
InChIInChI=1S/C13H10N4OS/c1-8-6-11-15-13(19-2)9(7-14)12(17(11)16-8)10-4-3-5-18-10/h3-6H,1-2H3
InChIKeyPMVNVRBZLGOFTC-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.89
Rot. Bonds2

About 7-(furan-2-yl)-2-methyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile

7-(furan-2-yl)-2-methyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile (PubChem CID 2819133) has the molecular formula C13H10N4OS and a molecular weight of 270.32 g/mol. Its IUPAC name is 7-(furan-2-yl)-2-methyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-(furan-2-yl)-2-methyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
PubChem CID2819133
Molecular FormulaC13H10N4OS
Molecular Weight270.32 g/mol
Exact Mass270.06
IUPAC Name7-(furan-2-yl)-2-methyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCSc1nc2cc(C)nn2c(-c2ccco2)c1C#N
InChIInChI=1S/C13H10N4OS/c1-8-6-11-15-13(19-2)9(7-14)12(17(11)16-8)10-4-3-5-18-10/h3-6H,1-2H3
InChIKeyPMVNVRBZLGOFTC-UHFFFAOYSA-N
XLogP2.89
TPSA67.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-anilino-2-methyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 21034639
7-(3-cyanoanilino)-2-methyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 21034608
2-methyl-5-methylsulfanyl-7-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 21034764
4-(furan-2-yl)-6-methyl-2-methylsulfanyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
CID 23475978
2-[2-(3,5-dimethylpyrazol-1-yl)-2-sulfanylideneethyl]sulfanyl-6-(4-fluorophenyl)-4-(furan-2-yl)pyridine-3-carbonitrile
CID 4188968
5-(furan-2-yl)-1,3-dimethylpyrazole
CID 59635617
2-(furan-2-yl)-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile
CID 134693303
7-(furan-2-yl)-2,4-dimethylpyrazolo[1,5-a][1,3,5]triazine
CID 13424971
2-chloro-4-(furan-2-yl)-5-methylpyridine-3-carbonitrile
CID 82114108
5-(furan-2-yl)-1-(3-methylphenyl)triazole-4-carbonitrile
CID 82197960
2-(furan-2-ylmethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile
CID 60658664
5-amino-1-(5-chloro-2-methylphenyl)-3-(furan-2-yl)pyrazole-4-carbonitrile
CID 22310098

Frequently Asked Questions

What is the IUPAC name of 7-(furan-2-yl)-2-methyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The IUPAC name of 7-(furan-2-yl)-2-methyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile (CID 2819133) is 7-(furan-2-yl)-2-methyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-(furan-2-yl)-2-methyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-(furan-2-yl)-2-methyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile is CSc1nc2cc(C)nn2c(-c2ccco2)c1C#N.
What is the InChIKey of 7-(furan-2-yl)-2-methyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The InChIKey is PMVNVRBZLGOFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4OS/c1-8-6-11-15-13(19-2)9(7-14)12(17(11)16-8)10-4-3-5-18-10/h3-6H,1-2H3.
What are the key properties of 7-(furan-2-yl)-2-methyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
7-(furan-2-yl)-2-methyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile has a molecular weight of 270.32 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(furan-2-yl)-2-methyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 2819133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).