N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)oxolane-2-carboxamide

C13H21N3O2 — CID 71938202

IUPACN-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)oxolane-2-carboxamide
SMILESCc1nn(C(C)C)c(C)c1NC(=O)C1CCCO1
InChIInChI=1S/C13H21N3O2/c1-8(2)16-10(4)12(9(3)15-16)14-13(17)11-6-5-7-18-11/h8,11H,5-7H2,1-4H3,(H,14,17)
InChIKeyRJZSHRYZOKGZSF-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.20
Rot. Bonds3

About N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)oxolane-2-carboxamide

N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)oxolane-2-carboxamide (PubChem CID 71938202) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)oxolane-2-carboxamide
PubChem CID71938202
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)oxolane-2-carboxamide
SMILESCc1nn(C(C)C)c(C)c1NC(=O)C1CCCO1
InChIInChI=1S/C13H21N3O2/c1-8(2)16-10(4)12(9(3)15-16)14-13(17)11-6-5-7-18-11/h8,11H,5-7H2,1-4H3,(H,14,17)
InChIKeyRJZSHRYZOKGZSF-UHFFFAOYSA-N
XLogP2.20
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]oxolane-2-carboxamide
CID 2970593
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]oxolane-2-carboxamide
CID 45153901
(2R)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyloxolane-2-carboxamide
CID 56741185
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methoxy-2-methylpropanamide
CID 103028979
2-methoxy-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 103029112
(2R)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]oxolane-2-carboxamide
CID 2225161
(2S)-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]oxolane-2-carboxamide
CID 2225162
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 56823799
(2R)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 95601626
(2S)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 95601627
N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]oxolane-2-carboxamide
CID 146086981
N-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(tetrahydrofuran-2-ylcarbonyl)piperazin-1-yl]acetamide
CID 50963919

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)oxolane-2-carboxamide?
The IUPAC name of N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)oxolane-2-carboxamide (CID 71938202) is N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)oxolane-2-carboxamide.
What is the SMILES notation for N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)oxolane-2-carboxamide?
The canonical SMILES for N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)oxolane-2-carboxamide is Cc1nn(C(C)C)c(C)c1NC(=O)C1CCCO1.
What is the InChIKey of N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)oxolane-2-carboxamide?
The InChIKey is RJZSHRYZOKGZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-8(2)16-10(4)12(9(3)15-16)14-13(17)11-6-5-7-18-11/h8,11H,5-7H2,1-4H3,(H,14,17).
What are the key properties of N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)oxolane-2-carboxamide?
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)oxolane-2-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)oxolane-2-carboxamide is sourced from PubChem (CID 71938202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).