2-cyclobutyl-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetamide

C12H17N3O2 — CID 167904651

IUPAC2-cyclobutyl-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetamide
SMILESO=C(CC1CCC1)Nc1n[nH]c2c1COCC2
InChIInChI=1S/C12H17N3O2/c16-11(6-8-2-1-3-8)13-12-9-7-17-5-4-10(9)14-15-12/h8H,1-7H2,(H2,13,14,15,16)
InChIKeyGDAISZVNGYARKG-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.61
Rot. Bonds3

About 2-cyclobutyl-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetamide

2-cyclobutyl-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetamide (PubChem CID 167904651) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-cyclobutyl-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-cyclobutyl-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetamide
PubChem CID167904651
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-cyclobutyl-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetamide
SMILESO=C(CC1CCC1)Nc1n[nH]c2c1COCC2
InChIInChI=1S/C12H17N3O2/c16-11(6-8-2-1-3-8)13-12-9-7-17-5-4-10(9)14-15-12/h8H,1-7H2,(H2,13,14,15,16)
InChIKeyGDAISZVNGYARKG-UHFFFAOYSA-N
XLogP1.61
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetamide?
The IUPAC name of 2-cyclobutyl-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetamide (CID 167904651) is 2-cyclobutyl-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-cyclobutyl-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetamide?
The canonical SMILES for 2-cyclobutyl-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetamide is O=C(CC1CCC1)Nc1n[nH]c2c1COCC2.
What is the InChIKey of 2-cyclobutyl-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetamide?
The InChIKey is GDAISZVNGYARKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c16-11(6-8-2-1-3-8)13-12-9-7-17-5-4-10(9)14-15-12/h8H,1-7H2,(H2,13,14,15,16).
What are the key properties of 2-cyclobutyl-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetamide?
2-cyclobutyl-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetamide has a molecular weight of 235.29 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)acetamide is sourced from PubChem (CID 167904651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).