7-anilino-2-methyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile

C15H13N5S — CID 21034639

IUPAC7-anilino-2-methyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCSc1nc2cc(C)nn2c(Nc2ccccc2)c1C#N
InChIInChI=1S/C15H13N5S/c1-10-8-13-18-15(21-2)12(9-16)14(20(13)19-10)17-11-6-4-3-5-7-11/h3-8,17H,1-2H3
InChIKeyMBXXBLIOULIHSM-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.37
Rot. Bonds3

About 7-anilino-2-methyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile

7-anilino-2-methyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile (PubChem CID 21034639) has the molecular formula C15H13N5S and a molecular weight of 295.37 g/mol. Its IUPAC name is 7-anilino-2-methyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-anilino-2-methyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
PubChem CID21034639
Molecular FormulaC15H13N5S
Molecular Weight295.37 g/mol
Exact Mass295.09
IUPAC Name7-anilino-2-methyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCSc1nc2cc(C)nn2c(Nc2ccccc2)c1C#N
InChIInChI=1S/C15H13N5S/c1-10-8-13-18-15(21-2)12(9-16)14(20(13)19-10)17-11-6-4-3-5-7-11/h3-8,17H,1-2H3
InChIKeyMBXXBLIOULIHSM-UHFFFAOYSA-N
XLogP3.37
TPSA66.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-anilino-2-methyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
7-(furan-2-yl)-2-methyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 2819133
5-methylsulfanyl-7-(phenylmethoxymethylamino)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 21034666
7-(benzylamino)-2,5-bis(methylsulfanyl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
CID 21034644
3-anilino-1-(3,5-dimethylpyrazol-1-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 139267293
3-amino-5-anilino-1-ethylpyrazole-4-carbonitrile
CID 68758151
7-(3-cyanoanilino)-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 21034607
4-anilino-6-(4-methylphenyl)-2-methylsulfanylpyrimidine-5-carbonitrile
CID 15630605
1-(2,7-dimethyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone
CID 2819567
2-anilino-3,5,6-trichloropyridine-4-carbonitrile
CID 13057542
5-(4-fluorophenyl)sulfanyl-2-methylpyrazolo[1,5-a]quinazoline
CID 8850833

Frequently Asked Questions

What is the IUPAC name of 7-anilino-2-methyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The IUPAC name of 7-anilino-2-methyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile (CID 21034639) is 7-anilino-2-methyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-anilino-2-methyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-anilino-2-methyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile is CSc1nc2cc(C)nn2c(Nc2ccccc2)c1C#N.
What is the InChIKey of 7-anilino-2-methyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The InChIKey is MBXXBLIOULIHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5S/c1-10-8-13-18-15(21-2)12(9-16)14(20(13)19-10)17-11-6-4-3-5-7-11/h3-8,17H,1-2H3.
What are the key properties of 7-anilino-2-methyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
7-anilino-2-methyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile has a molecular weight of 295.37 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-anilino-2-methyl-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 21034639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).