5-(difluoromethyl)-N-[(2S,3R)-2-ethyloxolan-3-yl]-1-methylpyrazole-3-carboxamide

C12H17F2N3O2 — CID 136586511

IUPAC5-(difluoromethyl)-N-[(2S,3R)-2-ethyloxolan-3-yl]-1-methylpyrazole-3-carboxamide
SMILESCC[C@@H]1OCC[C@H]1NC(=O)c1cc(C(F)F)n(C)n1
InChIInChI=1S/C12H17F2N3O2/c1-3-10-7(4-5-19-10)15-12(18)8-6-9(11(13)14)17(2)16-8/h6-7,10-11H,3-5H2,1-2H3,(H,15,18)/t7-,10+/m1/s1
InChIKeyQGBLAOMHVMOJRM-XCBNKYQSSA-N
MW273.28 g/mol
LogP1.65
Rot. Bonds4

About 5-(difluoromethyl)-N-[(2S,3R)-2-ethyloxolan-3-yl]-1-methylpyrazole-3-carboxamide

5-(difluoromethyl)-N-[(2S,3R)-2-ethyloxolan-3-yl]-1-methylpyrazole-3-carboxamide (PubChem CID 136586511) has the molecular formula C12H17F2N3O2 and a molecular weight of 273.28 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-[(2S,3R)-2-ethyloxolan-3-yl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(difluoromethyl)-N-[(2S,3R)-2-ethyloxolan-3-yl]-1-methylpyrazole-3-carboxamide
PubChem CID136586511
Molecular FormulaC12H17F2N3O2
Molecular Weight273.28 g/mol
Exact Mass273.13
IUPAC Name5-(difluoromethyl)-N-[(2S,3R)-2-ethyloxolan-3-yl]-1-methylpyrazole-3-carboxamide
SMILESCC[C@@H]1OCC[C@H]1NC(=O)c1cc(C(F)F)n(C)n1
InChIInChI=1S/C12H17F2N3O2/c1-3-10-7(4-5-19-10)15-12(18)8-6-9(11(13)14)17(2)16-8/h6-7,10-11H,3-5H2,1-2H3,(H,15,18)/t7-,10+/m1/s1
InChIKeyQGBLAOMHVMOJRM-XCBNKYQSSA-N
XLogP1.65
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(difluoromethyl)-N-[(2S,3R)-2-ethyloxolan-3-yl]-1-methylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(difluoromethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methylpyrazole-3-carboxamide
CID 136586301
5-(difluoromethyl)-N-[3-hydroxy-1-(oxan-4-yl)propyl]-1-methylpyrazole-3-carboxamide
CID 136564873
2-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 113263276
1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267771
N-[cyclopropyl(pyridin-3-yl)methyl]-5-(difluoromethyl)-1-methylpyrazole-3-carboxamide
CID 136564730
[5-(difluoromethyl)-1-methylpyrazol-3-yl]-[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 136586354
5-amino-N-cyclopropyl-1-methylpyrazole-3-carboxamide
CID 117215256
N-[2-(bromomethyl)cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide
CID 114219227
N-[(4S)-8-fluoro-3,4-dihydro-2H-chromen-4-yl]-1-methyl-5-propan-2-ylpyrazole-3-carboxamide
CID 124621017
5-(difluoromethyl)-N-[(1S)-1-(3-hydroxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide
CID 136586319
N-[2-(aminomethyl)cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide;hydrochloride
CID 119610682
5,7-bis(difluoromethyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449185

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N-[(2S,3R)-2-ethyloxolan-3-yl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of 5-(difluoromethyl)-N-[(2S,3R)-2-ethyloxolan-3-yl]-1-methylpyrazole-3-carboxamide (CID 136586511) is 5-(difluoromethyl)-N-[(2S,3R)-2-ethyloxolan-3-yl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(difluoromethyl)-N-[(2S,3R)-2-ethyloxolan-3-yl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-(difluoromethyl)-N-[(2S,3R)-2-ethyloxolan-3-yl]-1-methylpyrazole-3-carboxamide is CC[C@@H]1OCC[C@H]1NC(=O)c1cc(C(F)F)n(C)n1.
What is the InChIKey of 5-(difluoromethyl)-N-[(2S,3R)-2-ethyloxolan-3-yl]-1-methylpyrazole-3-carboxamide?
The InChIKey is QGBLAOMHVMOJRM-XCBNKYQSSA-N. The full InChI is InChI=1S/C12H17F2N3O2/c1-3-10-7(4-5-19-10)15-12(18)8-6-9(11(13)14)17(2)16-8/h6-7,10-11H,3-5H2,1-2H3,(H,15,18)/t7-,10+/m1/s1.
What are the key properties of 5-(difluoromethyl)-N-[(2S,3R)-2-ethyloxolan-3-yl]-1-methylpyrazole-3-carboxamide?
5-(difluoromethyl)-N-[(2S,3R)-2-ethyloxolan-3-yl]-1-methylpyrazole-3-carboxamide has a molecular weight of 273.28 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N-[(2S,3R)-2-ethyloxolan-3-yl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 136586511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).