5-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide

C17H25N5O2 — CID 110091032

IUPAC5-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCc1cc(C(=O)NCC(C(C)C)N2CCOCC2)n2nccc2n1
InChIInChI=1S/C17H25N5O2/c1-12(2)15(21-6-8-24-9-7-21)11-18-17(23)14-10-13(3)20-16-4-5-19-22(14)16/h4-5,10,12,15H,6-9,11H2,1-3H3,(H,18,23)
InChIKeySQZPYBVLCSMEKY-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.12
Rot. Bonds5

About 5-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide

5-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 110091032) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 5-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID110091032
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name5-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCc1cc(C(=O)NCC(C(C)C)N2CCOCC2)n2nccc2n1
InChIInChI=1S/C17H25N5O2/c1-12(2)15(21-6-8-24-9-7-21)11-18-17(23)14-10-13(3)20-16-4-5-19-22(14)16/h4-5,10,12,15H,6-9,11H2,1-3H3,(H,18,23)
InChIKeySQZPYBVLCSMEKY-UHFFFAOYSA-N
XLogP1.12
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of 5-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 110091032) is 5-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for 5-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for 5-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide is Cc1cc(C(=O)NCC(C(C)C)N2CCOCC2)n2nccc2n1.
What is the InChIKey of 5-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is SQZPYBVLCSMEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-12(2)15(21-6-8-24-9-7-21)11-18-17(23)14-10-13(3)20-16-4-5-19-22(14)16/h4-5,10,12,15H,6-9,11H2,1-3H3,(H,18,23).
What are the key properties of 5-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
5-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 110091032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).