3-cyano-5-methyl-N-(2-methylphenyl)-7-thiophen-2-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide

C20H17N5OS — CID 135653501

IUPAC3-cyano-5-methyl-N-(2-methylphenyl)-7-thiophen-2-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2C)C(c2cccs2)n2ncc(C#N)c2N1
InChIInChI=1S/C20H17N5OS/c1-12-6-3-4-7-15(12)24-20(26)17-13(2)23-19-14(10-21)11-22-25(19)18(17)16-8-5-9-27-16/h3-9,11,18,23H,1-2H3,(H,24,26)
InChIKeyYREDYJZCNUOTDU-UHFFFAOYSA-N
MW375.46 g/mol
LogP4.05
Rot. Bonds3

About 3-cyano-5-methyl-N-(2-methylphenyl)-7-thiophen-2-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide

3-cyano-5-methyl-N-(2-methylphenyl)-7-thiophen-2-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135653501) has the molecular formula C20H17N5OS and a molecular weight of 375.46 g/mol. Its IUPAC name is 3-cyano-5-methyl-N-(2-methylphenyl)-7-thiophen-2-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-cyano-5-methyl-N-(2-methylphenyl)-7-thiophen-2-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135653501
Molecular FormulaC20H17N5OS
Molecular Weight375.46 g/mol
Exact Mass375.12
IUPAC Name3-cyano-5-methyl-N-(2-methylphenyl)-7-thiophen-2-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2C)C(c2cccs2)n2ncc(C#N)c2N1
InChIInChI=1S/C20H17N5OS/c1-12-6-3-4-7-15(12)24-20(26)17-13(2)23-19-14(10-21)11-22-25(19)18(17)16-8-5-9-27-16/h3-9,11,18,23H,1-2H3,(H,24,26)
InChIKeyYREDYJZCNUOTDU-UHFFFAOYSA-N
XLogP4.05
TPSA82.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-5-methyl-N-(2-methylphenyl)-7-thiophen-2-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 3-cyano-5-methyl-N-(2-methylphenyl)-7-thiophen-2-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 135653501) is 3-cyano-5-methyl-N-(2-methylphenyl)-7-thiophen-2-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-cyano-5-methyl-N-(2-methylphenyl)-7-thiophen-2-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 3-cyano-5-methyl-N-(2-methylphenyl)-7-thiophen-2-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccccc2C)C(c2cccs2)n2ncc(C#N)c2N1.
What is the InChIKey of 3-cyano-5-methyl-N-(2-methylphenyl)-7-thiophen-2-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is YREDYJZCNUOTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5OS/c1-12-6-3-4-7-15(12)24-20(26)17-13(2)23-19-14(10-21)11-22-25(19)18(17)16-8-5-9-27-16/h3-9,11,18,23H,1-2H3,(H,24,26).
What are the key properties of 3-cyano-5-methyl-N-(2-methylphenyl)-7-thiophen-2-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide?
3-cyano-5-methyl-N-(2-methylphenyl)-7-thiophen-2-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 375.46 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-5-methyl-N-(2-methylphenyl)-7-thiophen-2-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135653501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).