(2R)-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]oxolane-2-carboxamide

C13H20BrN3O2 — CID 35284693

IUPAC(2R)-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]oxolane-2-carboxamide
SMILESCc1nn(CCCNC(=O)[C@H]2CCCO2)c(C)c1Br
InChIInChI=1S/C13H20BrN3O2/c1-9-12(14)10(2)17(16-9)7-4-6-15-13(18)11-5-3-8-19-11/h11H,3-8H2,1-2H3,(H,15,18)/t11-/m1/s1
InChIKeySITPMCCHCNGWIO-LLVKDONJSA-N
MW330.23 g/mol
LogP1.95
Rot. Bonds5

About (2R)-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]oxolane-2-carboxamide

(2R)-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]oxolane-2-carboxamide (PubChem CID 35284693) has the molecular formula C13H20BrN3O2 and a molecular weight of 330.23 g/mol. Its IUPAC name is (2R)-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]oxolane-2-carboxamide
PubChem CID35284693
Molecular FormulaC13H20BrN3O2
Molecular Weight330.23 g/mol
Exact Mass329.07
IUPAC Name(2R)-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]oxolane-2-carboxamide
SMILESCc1nn(CCCNC(=O)[C@H]2CCCO2)c(C)c1Br
InChIInChI=1S/C13H20BrN3O2/c1-9-12(14)10(2)17(16-9)7-4-6-15-13(18)11-5-3-8-19-11/h11H,3-8H2,1-2H3,(H,15,18)/t11-/m1/s1
InChIKeySITPMCCHCNGWIO-LLVKDONJSA-N
XLogP1.95
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]morpholine-2-carboxamide
CID 125177439
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 55088130
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 19525400
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethoxybenzamide
CID 4863020
(2R)-N-pentyloxolane-2-carboxamide
CID 146504537
(2R)-N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]oxolane-2-carboxamide
CID 51389907
(2R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide
CID 39854323
5-bromo-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]furan-2-carboxamide
CID 4772785
N-(4-bromobutyl)oxane-2-carboxamide
CID 106845688
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414210
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]oxolane-2-carboxamide
CID 121121018
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide
CID 35284531

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]oxolane-2-carboxamide (CID 35284693) is (2R)-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]oxolane-2-carboxamide is Cc1nn(CCCNC(=O)[C@H]2CCCO2)c(C)c1Br.
What is the InChIKey of (2R)-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]oxolane-2-carboxamide?
The InChIKey is SITPMCCHCNGWIO-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20BrN3O2/c1-9-12(14)10(2)17(16-9)7-4-6-15-13(18)11-5-3-8-19-11/h11H,3-8H2,1-2H3,(H,15,18)/t11-/m1/s1.
What are the key properties of (2R)-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]oxolane-2-carboxamide?
(2R)-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]oxolane-2-carboxamide has a molecular weight of 330.23 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]oxolane-2-carboxamide is sourced from PubChem (CID 35284693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).