6-methyl-N-(2-phenylethyl)-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide

C20H23N5O — CID 91891298

IUPAC6-methyl-N-(2-phenylethyl)-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1cn2nc(C(=O)NCCc3ccccc3)cc2c(N2CCCC2)n1
InChIInChI=1S/C20H23N5O/c1-15-14-25-18(19(22-15)24-11-5-6-12-24)13-17(23-25)20(26)21-10-9-16-7-3-2-4-8-16/h2-4,7-8,13-14H,5-6,9-12H2,1H3,(H,21,26)
InChIKeyLMSCGSOORKHSHI-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.61
Rot. Bonds5

About 6-methyl-N-(2-phenylethyl)-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide

6-methyl-N-(2-phenylethyl)-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 91891298) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 6-methyl-N-(2-phenylethyl)-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(2-phenylethyl)-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID91891298
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name6-methyl-N-(2-phenylethyl)-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1cn2nc(C(=O)NCCc3ccccc3)cc2c(N2CCCC2)n1
InChIInChI=1S/C20H23N5O/c1-15-14-25-18(19(22-15)24-11-5-6-12-24)13-17(23-25)20(26)21-10-9-16-7-3-2-4-8-16/h2-4,7-8,13-14H,5-6,9-12H2,1H3,(H,21,26)
InChIKeyLMSCGSOORKHSHI-UHFFFAOYSA-N
XLogP2.61
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2-phenylethyl)-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of 6-methyl-N-(2-phenylethyl)-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide (CID 91891298) is 6-methyl-N-(2-phenylethyl)-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for 6-methyl-N-(2-phenylethyl)-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for 6-methyl-N-(2-phenylethyl)-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide is Cc1cn2nc(C(=O)NCCc3ccccc3)cc2c(N2CCCC2)n1.
What is the InChIKey of 6-methyl-N-(2-phenylethyl)-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is LMSCGSOORKHSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-15-14-25-18(19(22-15)24-11-5-6-12-24)13-17(23-25)20(26)21-10-9-16-7-3-2-4-8-16/h2-4,7-8,13-14H,5-6,9-12H2,1H3,(H,21,26).
What are the key properties of 6-methyl-N-(2-phenylethyl)-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide?
6-methyl-N-(2-phenylethyl)-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2-phenylethyl)-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 91891298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).