(2R)-N-(1-butyl-4-methylpyrazol-5-yl)oxolane-2-carboxamide

C13H21N3O2 — CID 50983473

IUPAC(2R)-N-(1-butyl-4-methylpyrazol-5-yl)oxolane-2-carboxamide
SMILESCCCCn1ncc(C)c1NC(=O)[C@H]1CCCO1
InChIInChI=1S/C13H21N3O2/c1-3-4-7-16-12(10(2)9-14-16)15-13(17)11-6-5-8-18-11/h9,11H,3-8H2,1-2H3,(H,15,17)/t11-/m1/s1
InChIKeyHRSAJYYFPIXJGN-LLVKDONJSA-N
MW251.33 g/mol
LogP2.11
Rot. Bonds5

About (2R)-N-(1-butyl-4-methylpyrazol-5-yl)oxolane-2-carboxamide

(2R)-N-(1-butyl-4-methylpyrazol-5-yl)oxolane-2-carboxamide (PubChem CID 50983473) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is (2R)-N-(1-butyl-4-methylpyrazol-5-yl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(1-butyl-4-methylpyrazol-5-yl)oxolane-2-carboxamide
PubChem CID50983473
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name(2R)-N-(1-butyl-4-methylpyrazol-5-yl)oxolane-2-carboxamide
SMILESCCCCn1ncc(C)c1NC(=O)[C@H]1CCCO1
InChIInChI=1S/C13H21N3O2/c1-3-4-7-16-12(10(2)9-14-16)15-13(17)11-6-5-8-18-11/h9,11H,3-8H2,1-2H3,(H,15,17)/t11-/m1/s1
InChIKeyHRSAJYYFPIXJGN-LLVKDONJSA-N
XLogP2.11
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-butyl-4-methylpyrazol-5-yl)oxolane-2-carboxamide?
The IUPAC name of (2R)-N-(1-butyl-4-methylpyrazol-5-yl)oxolane-2-carboxamide (CID 50983473) is (2R)-N-(1-butyl-4-methylpyrazol-5-yl)oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-(1-butyl-4-methylpyrazol-5-yl)oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-(1-butyl-4-methylpyrazol-5-yl)oxolane-2-carboxamide is CCCCn1ncc(C)c1NC(=O)[C@H]1CCCO1.
What is the InChIKey of (2R)-N-(1-butyl-4-methylpyrazol-5-yl)oxolane-2-carboxamide?
The InChIKey is HRSAJYYFPIXJGN-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-4-7-16-12(10(2)9-14-16)15-13(17)11-6-5-8-18-11/h9,11H,3-8H2,1-2H3,(H,15,17)/t11-/m1/s1.
What are the key properties of (2R)-N-(1-butyl-4-methylpyrazol-5-yl)oxolane-2-carboxamide?
(2R)-N-(1-butyl-4-methylpyrazol-5-yl)oxolane-2-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1-butyl-4-methylpyrazol-5-yl)oxolane-2-carboxamide is sourced from PubChem (CID 50983473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).