2-[(4-methoxy-N-methylanilino)methyl]-5-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C19H21N5O2S — CID 118574985

IUPAC2-[(4-methoxy-N-methylanilino)methyl]-5-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccc(N(C)Cc2cc3n(n2)CCN(c2csc(C)n2)C3=O)cc1
InChIInChI=1S/C19H21N5O2S/c1-13-20-18(12-27-13)23-8-9-24-17(19(23)25)10-14(21-24)11-22(2)15-4-6-16(26-3)7-5-15/h4-7,10,12H,8-9,11H2,1-3H3
InChIKeySKXOVBLTQNGDHK-UHFFFAOYSA-N
MW383.48 g/mol
LogP2.95
Rot. Bonds5

About 2-[(4-methoxy-N-methylanilino)methyl]-5-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

2-[(4-methoxy-N-methylanilino)methyl]-5-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 118574985) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is 2-[(4-methoxy-N-methylanilino)methyl]-5-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-[(4-methoxy-N-methylanilino)methyl]-5-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID118574985
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC Name2-[(4-methoxy-N-methylanilino)methyl]-5-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccc(N(C)Cc2cc3n(n2)CCN(c2csc(C)n2)C3=O)cc1
InChIInChI=1S/C19H21N5O2S/c1-13-20-18(12-27-13)23-8-9-24-17(19(23)25)10-14(21-24)11-22(2)15-4-6-16(26-3)7-5-15/h4-7,10,12H,8-9,11H2,1-3H3
InChIKeySKXOVBLTQNGDHK-UHFFFAOYSA-N
XLogP2.95
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-N-methylanilino)methyl]-5-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-[(4-methoxy-N-methylanilino)methyl]-5-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 118574985) is 2-[(4-methoxy-N-methylanilino)methyl]-5-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-[(4-methoxy-N-methylanilino)methyl]-5-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-[(4-methoxy-N-methylanilino)methyl]-5-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is COc1ccc(N(C)Cc2cc3n(n2)CCN(c2csc(C)n2)C3=O)cc1.
What is the InChIKey of 2-[(4-methoxy-N-methylanilino)methyl]-5-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is SKXOVBLTQNGDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-13-20-18(12-27-13)23-8-9-24-17(19(23)25)10-14(21-24)11-22(2)15-4-6-16(26-3)7-5-15/h4-7,10,12H,8-9,11H2,1-3H3.
What are the key properties of 2-[(4-methoxy-N-methylanilino)methyl]-5-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
2-[(4-methoxy-N-methylanilino)methyl]-5-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 383.48 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-N-methylanilino)methyl]-5-(2-methyl-1,3-thiazol-4-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 118574985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).