N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)oxolane-2-carboxamide

C14H23N3O2 — CID 50967434

IUPACN-(5-methyl-2-pentan-3-ylpyrazol-3-yl)oxolane-2-carboxamide
SMILESCCC(CC)n1nc(C)cc1NC(=O)C1CCCO1
InChIInChI=1S/C14H23N3O2/c1-4-11(5-2)17-13(9-10(3)16-17)15-14(18)12-7-6-8-19-12/h9,11-12H,4-8H2,1-3H3,(H,15,18)
InChIKeyRGSYFUCGKALDAS-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.67
Rot. Bonds5

About N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)oxolane-2-carboxamide

N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)oxolane-2-carboxamide (PubChem CID 50967434) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-2-pentan-3-ylpyrazol-3-yl)oxolane-2-carboxamide
PubChem CID50967434
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-(5-methyl-2-pentan-3-ylpyrazol-3-yl)oxolane-2-carboxamide
SMILESCCC(CC)n1nc(C)cc1NC(=O)C1CCCO1
InChIInChI=1S/C14H23N3O2/c1-4-11(5-2)17-13(9-10(3)16-17)15-14(18)12-7-6-8-19-12/h9,11-12H,4-8H2,1-3H3,(H,15,18)
InChIKeyRGSYFUCGKALDAS-UHFFFAOYSA-N
XLogP2.67
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)oxolane-2-carboxamide?
The IUPAC name of N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)oxolane-2-carboxamide (CID 50967434) is N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)oxolane-2-carboxamide.
What is the SMILES notation for N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)oxolane-2-carboxamide?
The canonical SMILES for N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)oxolane-2-carboxamide is CCC(CC)n1nc(C)cc1NC(=O)C1CCCO1.
What is the InChIKey of N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)oxolane-2-carboxamide?
The InChIKey is RGSYFUCGKALDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-11(5-2)17-13(9-10(3)16-17)15-14(18)12-7-6-8-19-12/h9,11-12H,4-8H2,1-3H3,(H,15,18).
What are the key properties of N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)oxolane-2-carboxamide?
N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)oxolane-2-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)oxolane-2-carboxamide is sourced from PubChem (CID 50967434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).