N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C15H13N5OS — CID 1247986

IUPACN-(3-cyano-4-ethyl-5-methylthiophen-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCc1c(C)sc(NC(=O)c2cnn3cccnc23)c1C#N
InChIInChI=1S/C15H13N5OS/c1-3-10-9(2)22-15(11(10)7-16)19-14(21)12-8-18-20-6-4-5-17-13(12)20/h4-6,8H,3H2,1-2H3,(H,19,21)
InChIKeyZIELLXUHWBOIQB-UHFFFAOYSA-N
MW311.37 g/mol
LogP2.79
Rot. Bonds3

About N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 1247986) has the molecular formula C15H13N5OS and a molecular weight of 311.37 g/mol. Its IUPAC name is N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4-ethyl-5-methylthiophen-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID1247986
Molecular FormulaC15H13N5OS
Molecular Weight311.37 g/mol
Exact Mass311.08
IUPAC NameN-(3-cyano-4-ethyl-5-methylthiophen-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCc1c(C)sc(NC(=O)c2cnn3cccnc23)c1C#N
InChIInChI=1S/C15H13N5OS/c1-3-10-9(2)22-15(11(10)7-16)19-14(21)12-8-18-20-6-4-5-17-13(12)20/h4-6,8H,3H2,1-2H3,(H,19,21)
InChIKeyZIELLXUHWBOIQB-UHFFFAOYSA-N
XLogP2.79
TPSA83.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 1247986) is N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCc1c(C)sc(NC(=O)c2cnn3cccnc23)c1C#N.
What is the InChIKey of N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ZIELLXUHWBOIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5OS/c1-3-10-9(2)22-15(11(10)7-16)19-14(21)12-8-18-20-6-4-5-17-13(12)20/h4-6,8H,3H2,1-2H3,(H,19,21).
What are the key properties of N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 311.37 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 1247986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).