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

C20H24N6O — CID 91908329

IUPACN-[4-(dimethylamino)phenyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1cn2nc(C(=O)Nc3ccc(N(C)C)cc3)cc2c(N2CCCC2)n1
InChIInChI=1S/C20H24N6O/c1-14-13-26-18(19(21-14)25-10-4-5-11-25)12-17(23-26)20(27)22-15-6-8-16(9-7-15)24(2)3/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,22,27)
InChIKeyHSBRJXACSCWCAA-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.96
Rot. Bonds4

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

N-[4-(dimethylamino)phenyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 91908329) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID91908329
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC NameN-[4-(dimethylamino)phenyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1cn2nc(C(=O)Nc3ccc(N(C)C)cc3)cc2c(N2CCCC2)n1
InChIInChI=1S/C20H24N6O/c1-14-13-26-18(19(21-14)25-10-4-5-11-25)12-17(23-26)20(27)22-15-6-8-16(9-7-15)24(2)3/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,22,27)
InChIKeyHSBRJXACSCWCAA-UHFFFAOYSA-N
XLogP2.96
TPSA65.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide (CID 91908329) is N-[4-(dimethylamino)phenyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide is Cc1cn2nc(C(=O)Nc3ccc(N(C)C)cc3)cc2c(N2CCCC2)n1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is HSBRJXACSCWCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-14-13-26-18(19(21-14)25-10-4-5-11-25)12-17(23-26)20(27)22-15-6-8-16(9-7-15)24(2)3/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,22,27).
What are the key properties of N-[4-(dimethylamino)phenyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide?
N-[4-(dimethylamino)phenyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 91908329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).