5-methyl-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide

C14H18N4O2 — CID 110090720

IUPAC5-methyl-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCc1cc(C(=O)NCC2CCOCC2)n2nccc2n1
InChIInChI=1S/C14H18N4O2/c1-10-8-12(18-13(17-10)2-5-16-18)14(19)15-9-11-3-6-20-7-4-11/h2,5,8,11H,3-4,6-7,9H2,1H3,(H,15,19)
InChIKeyVNUOZVJGPHKLRF-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.19
Rot. Bonds3

About 5-methyl-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide

5-methyl-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 110090720) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-methyl-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID110090720
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name5-methyl-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCc1cc(C(=O)NCC2CCOCC2)n2nccc2n1
InChIInChI=1S/C14H18N4O2/c1-10-8-12(18-13(17-10)2-5-16-18)14(19)15-9-11-3-6-20-7-4-11/h2,5,8,11H,3-4,6-7,9H2,1H3,(H,15,19)
InChIKeyVNUOZVJGPHKLRF-UHFFFAOYSA-N
XLogP1.19
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of 5-methyl-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 110090720) is 5-methyl-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for 5-methyl-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for 5-methyl-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide is Cc1cc(C(=O)NCC2CCOCC2)n2nccc2n1.
What is the InChIKey of 5-methyl-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is VNUOZVJGPHKLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10-8-12(18-13(17-10)2-5-16-18)14(19)15-9-11-3-6-20-7-4-11/h2,5,8,11H,3-4,6-7,9H2,1H3,(H,15,19).
What are the key properties of 5-methyl-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
5-methyl-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(oxan-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 110090720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).