N-(3-methoxypropyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C12H16N4O2 — CID 134794414

IUPACN-(3-methoxypropyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOCCCNC(=O)c1cnc2cc(C)nn2c1
InChIInChI=1S/C12H16N4O2/c1-9-6-11-14-7-10(8-16(11)15-9)12(17)13-4-3-5-18-2/h6-8H,3-5H2,1-2H3,(H,13,17)
InChIKeyLFVGRTGJFYXOMF-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.80
Rot. Bonds5

About N-(3-methoxypropyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide

N-(3-methoxypropyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 134794414) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID134794414
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC NameN-(3-methoxypropyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOCCCNC(=O)c1cnc2cc(C)nn2c1
InChIInChI=1S/C12H16N4O2/c1-9-6-11-14-7-10(8-16(11)15-9)12(17)13-4-3-5-18-2/h6-8H,3-5H2,1-2H3,(H,13,17)
InChIKeyLFVGRTGJFYXOMF-UHFFFAOYSA-N
XLogP0.80
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 134794414) is N-(3-methoxypropyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide is COCCCNC(=O)c1cnc2cc(C)nn2c1.
What is the InChIKey of N-(3-methoxypropyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is LFVGRTGJFYXOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-9-6-11-14-7-10(8-16(11)15-9)12(17)13-4-3-5-18-2/h6-8H,3-5H2,1-2H3,(H,13,17).
What are the key properties of N-(3-methoxypropyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-(3-methoxypropyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 134794414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).