N-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]-N-methyl-1-propan-2-ylpyrazole-3-carboxamide

C14H21N3O3 — CID 125419729

IUPACN-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]-N-methyl-1-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)n1ccc(C(=O)N(C)[C@H]2CC(C)(C)OC2=O)n1
InChIInChI=1S/C14H21N3O3/c1-9(2)17-7-6-10(15-17)12(18)16(5)11-8-14(3,4)20-13(11)19/h6-7,9,11H,8H2,1-5H3/t11-/m0/s1
InChIKeyLVXIYFLHJOHXEJ-NSHDSACASA-N
MW279.34 g/mol
LogP1.63
Rot. Bonds3

About N-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]-N-methyl-1-propan-2-ylpyrazole-3-carboxamide

N-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]-N-methyl-1-propan-2-ylpyrazole-3-carboxamide (PubChem CID 125419729) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]-N-methyl-1-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]-N-methyl-1-propan-2-ylpyrazole-3-carboxamide
PubChem CID125419729
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]-N-methyl-1-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)n1ccc(C(=O)N(C)[C@H]2CC(C)(C)OC2=O)n1
InChIInChI=1S/C14H21N3O3/c1-9(2)17-7-6-10(15-17)12(18)16(5)11-8-14(3,4)20-13(11)19/h6-7,9,11H,8H2,1-5H3/t11-/m0/s1
InChIKeyLVXIYFLHJOHXEJ-NSHDSACASA-N
XLogP1.63
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]-N-methyl-1-propan-2-ylpyrazole-3-carboxamide with MolForge

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Related Compounds

N-[[(4R)-2,2-dimethyloxan-4-yl]methyl]-1-propan-2-ylpyrazole-3-carboxamide
CID 126454819
N-[(1S,5S)-8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octan-3-yl]-N-methyl-1-propan-2-ylpyrazole-3-carboxamide
CID 129352789
3-[methyl-(1-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid
CID 119232438
N-methyl-1-propan-2-yl-N-(1-pyridin-4-ylethyl)pyrazole-3-carboxamide
CID 146088120
ethyl (2S)-2-[methyl-(1-propan-2-ylpyrazole-3-carbonyl)amino]propanoate
CID 96539757
2-bromo-1-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 146407940
N-[2-(dimethylamino)-3-pyridinyl]-N-methyl-1-propan-2-ylpyrazole-3-carboxamide
CID 146091043
N-(oxolan-2-ylmethyl)-1-propan-2-ylpyrazole-3-carboxamide
CID 146131521
2-[3-(dimethylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19623443
[2,3-di(propan-2-yl)azetidin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone
CID 122152024
1-[(3R,4S)-4-hydroxy-1-(1-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134714471
N-[[(2S,5S)-1,5-dimethylpyrrolidin-2-yl]methyl]-1-propan-2-ylpyrazole-3-carboxamide
CID 122132066

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]-N-methyl-1-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]-N-methyl-1-propan-2-ylpyrazole-3-carboxamide (CID 125419729) is N-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]-N-methyl-1-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]-N-methyl-1-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]-N-methyl-1-propan-2-ylpyrazole-3-carboxamide is CC(C)n1ccc(C(=O)N(C)[C@H]2CC(C)(C)OC2=O)n1.
What is the InChIKey of N-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]-N-methyl-1-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is LVXIYFLHJOHXEJ-NSHDSACASA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9(2)17-7-6-10(15-17)12(18)16(5)11-8-14(3,4)20-13(11)19/h6-7,9,11H,8H2,1-5H3/t11-/m0/s1.
What are the key properties of N-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]-N-methyl-1-propan-2-ylpyrazole-3-carboxamide?
N-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]-N-methyl-1-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]-N-methyl-1-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 125419729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).