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

C13H21N3O2 — CID 45153901

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]oxolane-2-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)C2CCCO2)n1
InChIInChI=1S/C13H21N3O2/c1-10-9-11(2)16(15-10)7-4-6-14-13(17)12-5-3-8-18-12/h9,12H,3-8H2,1-2H3,(H,14,17)
InChIKeyHJEXKRAOLHXNQQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.19
Rot. Bonds5

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

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]oxolane-2-carboxamide (PubChem CID 45153901) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]oxolane-2-carboxamide
PubChem CID45153901
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]oxolane-2-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)C2CCCO2)n1
InChIInChI=1S/C13H21N3O2/c1-10-9-11(2)16(15-10)7-4-6-14-13(17)12-5-3-8-18-12/h9,12H,3-8H2,1-2H3,(H,14,17)
InChIKeyHJEXKRAOLHXNQQ-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
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

2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 659741
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 813459
N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]oxolane-2-carboxamide
CID 2970593
N-[(2-ethylpyrazol-3-yl)methyl]oxolane-2-carboxamide
CID 45153612
(2R)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyloxolane-2-carboxamide
CID 56741185
N-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-N,3-dimethyl-4,5-dihydroisoxazole-5-carboxamide
CID 56870642
N-isopropyl-3-{5-[(2R)-tetrahydro-2-furanylcarbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl}propanamide
CID 72929973
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 813461
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-2-ethoxyacetamide
CID 49670889
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)oxolane-2-carboxamide
CID 71938202
1,5-anhydro-2,4-dideoxy-2-{[4-(3,5-dimethyl-1H-pyrazol-1-yl)butanoyl]amino}-D-threo-pentitol
CID 91783803
N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)-2-pentoxyacetamide
CID 126830932

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]oxolane-2-carboxamide (CID 45153901) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]oxolane-2-carboxamide is Cc1cc(C)n(CCCNC(=O)C2CCCO2)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]oxolane-2-carboxamide?
The InChIKey is HJEXKRAOLHXNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10-9-11(2)16(15-10)7-4-6-14-13(17)12-5-3-8-18-12/h9,12H,3-8H2,1-2H3,(H,14,17).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]oxolane-2-carboxamide?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]oxolane-2-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]oxolane-2-carboxamide is sourced from PubChem (CID 45153901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).