N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide

C20H21N5O3 — CID 91908363

IUPACN-(1,3-benzodioxol-5-ylmethyl)-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1cn2nc(C(=O)NCc3ccc4c(c3)OCO4)cc2c(N2CCCC2)n1
InChIInChI=1S/C20H21N5O3/c1-13-11-25-16(19(22-13)24-6-2-3-7-24)9-15(23-25)20(26)21-10-14-4-5-17-18(8-14)28-12-27-17/h4-5,8-9,11H,2-3,6-7,10,12H2,1H3,(H,21,26)
InChIKeyRDMWNGWIEVMUTL-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.30
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 91908363) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID91908363
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1cn2nc(C(=O)NCc3ccc4c(c3)OCO4)cc2c(N2CCCC2)n1
InChIInChI=1S/C20H21N5O3/c1-13-11-25-16(19(22-13)24-6-2-3-7-24)9-15(23-25)20(26)21-10-14-4-5-17-18(8-14)28-12-27-17/h4-5,8-9,11H,2-3,6-7,10,12H2,1H3,(H,21,26)
InChIKeyRDMWNGWIEVMUTL-UHFFFAOYSA-N
XLogP2.30
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide (CID 91908363) is N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide is Cc1cn2nc(C(=O)NCc3ccc4c(c3)OCO4)cc2c(N2CCCC2)n1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is RDMWNGWIEVMUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-13-11-25-16(19(22-13)24-6-2-3-7-24)9-15(23-25)20(26)21-10-14-4-5-17-18(8-14)28-12-27-17/h4-5,8-9,11H,2-3,6-7,10,12H2,1H3,(H,21,26).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 91908363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).