6-methyl-4-pyrrolidin-1-yl-N-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrazine-2-carboxamide

C18H21N5OS — CID 91891303

IUPAC6-methyl-4-pyrrolidin-1-yl-N-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1cn2nc(C(=O)NCCc3cccs3)cc2c(N2CCCC2)n1
InChIInChI=1S/C18H21N5OS/c1-13-12-23-16(17(20-13)22-8-2-3-9-22)11-15(21-23)18(24)19-7-6-14-5-4-10-25-14/h4-5,10-12H,2-3,6-9H2,1H3,(H,19,24)
InChIKeySCGXCOAOSSGKKI-UHFFFAOYSA-N
MW355.47 g/mol
LogP2.67
Rot. Bonds5

About 6-methyl-4-pyrrolidin-1-yl-N-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrazine-2-carboxamide

6-methyl-4-pyrrolidin-1-yl-N-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 91891303) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is 6-methyl-4-pyrrolidin-1-yl-N-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-4-pyrrolidin-1-yl-N-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID91891303
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC Name6-methyl-4-pyrrolidin-1-yl-N-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1cn2nc(C(=O)NCCc3cccs3)cc2c(N2CCCC2)n1
InChIInChI=1S/C18H21N5OS/c1-13-12-23-16(17(20-13)22-8-2-3-9-22)11-15(21-23)18(24)19-7-6-14-5-4-10-25-14/h4-5,10-12H,2-3,6-9H2,1H3,(H,19,24)
InChIKeySCGXCOAOSSGKKI-UHFFFAOYSA-N
XLogP2.67
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-pyrrolidin-1-yl-N-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of 6-methyl-4-pyrrolidin-1-yl-N-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 91891303) is 6-methyl-4-pyrrolidin-1-yl-N-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for 6-methyl-4-pyrrolidin-1-yl-N-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for 6-methyl-4-pyrrolidin-1-yl-N-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrazine-2-carboxamide is Cc1cn2nc(C(=O)NCCc3cccs3)cc2c(N2CCCC2)n1.
What is the InChIKey of 6-methyl-4-pyrrolidin-1-yl-N-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is SCGXCOAOSSGKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS/c1-13-12-23-16(17(20-13)22-8-2-3-9-22)11-15(21-23)18(24)19-7-6-14-5-4-10-25-14/h4-5,10-12H,2-3,6-9H2,1H3,(H,19,24).
What are the key properties of 6-methyl-4-pyrrolidin-1-yl-N-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrazine-2-carboxamide?
6-methyl-4-pyrrolidin-1-yl-N-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 355.47 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-pyrrolidin-1-yl-N-(2-thiophen-2-ylethyl)pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 91891303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).