(2R)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyloxolane-2-carboxamide

C14H23N3O2 — CID 56741185

IUPAC(2R)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyloxolane-2-carboxamide
SMILESCc1cc(C)n(CCCN(C)C(=O)[C@H]2CCCO2)n1
InChIInChI=1S/C14H23N3O2/c1-11-10-12(2)17(15-11)8-5-7-16(3)14(18)13-6-4-9-19-13/h10,13H,4-9H2,1-3H3/t13-/m1/s1
InChIKeyHKIXCEFYBUXDKS-CYBMUJFWSA-N
MW265.36 g/mol
LogP1.53
Rot. Bonds5

About (2R)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyloxolane-2-carboxamide

(2R)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyloxolane-2-carboxamide (PubChem CID 56741185) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is (2R)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyloxolane-2-carboxamide
PubChem CID56741185
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name(2R)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyloxolane-2-carboxamide
SMILESCc1cc(C)n(CCCN(C)C(=O)[C@H]2CCCO2)n1
InChIInChI=1S/C14H23N3O2/c1-11-10-12(2)17(15-11)8-5-7-16(3)14(18)13-6-4-9-19-13/h10,13H,4-9H2,1-3H3/t13-/m1/s1
InChIKeyHKIXCEFYBUXDKS-CYBMUJFWSA-N
XLogP1.53
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyloxolane-2-carboxamide?
The IUPAC name of (2R)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyloxolane-2-carboxamide (CID 56741185) is (2R)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyloxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyloxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyloxolane-2-carboxamide is Cc1cc(C)n(CCCN(C)C(=O)[C@H]2CCCO2)n1.
What is the InChIKey of (2R)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyloxolane-2-carboxamide?
The InChIKey is HKIXCEFYBUXDKS-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11-10-12(2)17(15-11)8-5-7-16(3)14(18)13-6-4-9-19-13/h10,13H,4-9H2,1-3H3/t13-/m1/s1.
What are the key properties of (2R)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyloxolane-2-carboxamide?
(2R)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyloxolane-2-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyloxolane-2-carboxamide is sourced from PubChem (CID 56741185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).