8-(4-methoxy-2-methylphenyl)-2,7-dimethyl-4-pyrrolidin-1-ylpyrazolo[1,5-a][1,3,5]triazine

C19H23N5O — CID 42618173

IUPAC8-(4-methoxy-2-methylphenyl)-2,7-dimethyl-4-pyrrolidin-1-ylpyrazolo[1,5-a][1,3,5]triazine
SMILESCOc1ccc(-c2c(C)nn3c(N4CCCC4)nc(C)nc23)c(C)c1
InChIInChI=1S/C19H23N5O/c1-12-11-15(25-4)7-8-16(12)17-13(2)22-24-18(17)20-14(3)21-19(24)23-9-5-6-10-23/h7-8,11H,5-6,9-10H2,1-4H3
InChIKeyWMIIMPWNKJBPNJ-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.33
Rot. Bonds3

About 8-(4-methoxy-2-methylphenyl)-2,7-dimethyl-4-pyrrolidin-1-ylpyrazolo[1,5-a][1,3,5]triazine

8-(4-methoxy-2-methylphenyl)-2,7-dimethyl-4-pyrrolidin-1-ylpyrazolo[1,5-a][1,3,5]triazine (PubChem CID 42618173) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 8-(4-methoxy-2-methylphenyl)-2,7-dimethyl-4-pyrrolidin-1-ylpyrazolo[1,5-a][1,3,5]triazine.

Molecular Properties

Compound Name8-(4-methoxy-2-methylphenyl)-2,7-dimethyl-4-pyrrolidin-1-ylpyrazolo[1,5-a][1,3,5]triazine
PubChem CID42618173
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name8-(4-methoxy-2-methylphenyl)-2,7-dimethyl-4-pyrrolidin-1-ylpyrazolo[1,5-a][1,3,5]triazine
SMILESCOc1ccc(-c2c(C)nn3c(N4CCCC4)nc(C)nc23)c(C)c1
InChIInChI=1S/C19H23N5O/c1-12-11-15(25-4)7-8-16(12)17-13(2)22-24-18(17)20-14(3)21-19(24)23-9-5-6-10-23/h7-8,11H,5-6,9-10H2,1-4H3
InChIKeyWMIIMPWNKJBPNJ-UHFFFAOYSA-N
XLogP3.33
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(4-methoxy-2-methylphenyl)-2,7-dimethyl-4-pyrrolidin-1-ylpyrazolo[1,5-a][1,3,5]triazine?
The IUPAC name of 8-(4-methoxy-2-methylphenyl)-2,7-dimethyl-4-pyrrolidin-1-ylpyrazolo[1,5-a][1,3,5]triazine (CID 42618173) is 8-(4-methoxy-2-methylphenyl)-2,7-dimethyl-4-pyrrolidin-1-ylpyrazolo[1,5-a][1,3,5]triazine.
What is the SMILES notation for 8-(4-methoxy-2-methylphenyl)-2,7-dimethyl-4-pyrrolidin-1-ylpyrazolo[1,5-a][1,3,5]triazine?
The canonical SMILES for 8-(4-methoxy-2-methylphenyl)-2,7-dimethyl-4-pyrrolidin-1-ylpyrazolo[1,5-a][1,3,5]triazine is COc1ccc(-c2c(C)nn3c(N4CCCC4)nc(C)nc23)c(C)c1.
What is the InChIKey of 8-(4-methoxy-2-methylphenyl)-2,7-dimethyl-4-pyrrolidin-1-ylpyrazolo[1,5-a][1,3,5]triazine?
The InChIKey is WMIIMPWNKJBPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-12-11-15(25-4)7-8-16(12)17-13(2)22-24-18(17)20-14(3)21-19(24)23-9-5-6-10-23/h7-8,11H,5-6,9-10H2,1-4H3.
What are the key properties of 8-(4-methoxy-2-methylphenyl)-2,7-dimethyl-4-pyrrolidin-1-ylpyrazolo[1,5-a][1,3,5]triazine?
8-(4-methoxy-2-methylphenyl)-2,7-dimethyl-4-pyrrolidin-1-ylpyrazolo[1,5-a][1,3,5]triazine has a molecular weight of 337.43 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methoxy-2-methylphenyl)-2,7-dimethyl-4-pyrrolidin-1-ylpyrazolo[1,5-a][1,3,5]triazine is sourced from PubChem (CID 42618173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).