2-(difluoromethyl)-N-[(2R)-1-methoxypropan-2-yl]-N-[(3-methylphenyl)methyl]pyrazole-3-carboxamide

C17H21F2N3O2 — CID 51586593

IUPAC2-(difluoromethyl)-N-[(2R)-1-methoxypropan-2-yl]-N-[(3-methylphenyl)methyl]pyrazole-3-carboxamide
SMILESCOC[C@@H](C)N(Cc1cccc(C)c1)C(=O)c1ccnn1C(F)F
InChIInChI=1S/C17H21F2N3O2/c1-12-5-4-6-14(9-12)10-21(13(2)11-24-3)16(23)15-7-8-20-22(15)17(18)19/h4-9,13,17H,10-11H2,1-3H3/t13-/m1/s1
InChIKeyMZKZGTQENIWSMG-CYBMUJFWSA-N
MW337.37 g/mol
LogP3.26
Rot. Bonds7

About 2-(difluoromethyl)-N-[(2R)-1-methoxypropan-2-yl]-N-[(3-methylphenyl)methyl]pyrazole-3-carboxamide

2-(difluoromethyl)-N-[(2R)-1-methoxypropan-2-yl]-N-[(3-methylphenyl)methyl]pyrazole-3-carboxamide (PubChem CID 51586593) has the molecular formula C17H21F2N3O2 and a molecular weight of 337.37 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-[(2R)-1-methoxypropan-2-yl]-N-[(3-methylphenyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-N-[(2R)-1-methoxypropan-2-yl]-N-[(3-methylphenyl)methyl]pyrazole-3-carboxamide
PubChem CID51586593
Molecular FormulaC17H21F2N3O2
Molecular Weight337.37 g/mol
Exact Mass337.16
IUPAC Name2-(difluoromethyl)-N-[(2R)-1-methoxypropan-2-yl]-N-[(3-methylphenyl)methyl]pyrazole-3-carboxamide
SMILESCOC[C@@H](C)N(Cc1cccc(C)c1)C(=O)c1ccnn1C(F)F
InChIInChI=1S/C17H21F2N3O2/c1-12-5-4-6-14(9-12)10-21(13(2)11-24-3)16(23)15-7-8-20-22(15)17(18)19/h4-9,13,17H,10-11H2,1-3H3/t13-/m1/s1
InChIKeyMZKZGTQENIWSMG-CYBMUJFWSA-N
XLogP3.26
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1,5-dimethylpyrazol-4-yl)-N-[(2S)-1-methoxypropan-2-yl]-N-[(3-methylphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 92560797
3-(1,3-benzodioxol-5-yl)-N-[(2S)-1-methoxypropan-2-yl]-N-[(3-methylphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 51586592
1-(difluoromethyl)-N-(1-methoxypropan-2-yl)-3-methyl-N-[(3-methylphenyl)methyl]pyrazole-4-sulfonamide
CID 46957565
6-chloro-N-[(3-fluorophenyl)methyl]-N-[(2S)-1-methoxypropan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 92627163
N-[(3-methylphenyl)methyl]-N-propan-2-ylpyridine-2-carboxamide
CID 50971930
4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]-N-propan-2-ylbenzamide
CID 46989736
N-[(3-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 46976097
N-(2-methoxyethyl)-2-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]-1,3-oxazole-4-carboxamide
CID 42835099
3-(difluoromethyl)-N-methoxy-1-methyl-N-[(3-methylphenyl)methyl]pyrazole-4-carboxamide
CID 123888869
4-cyano-N-[(3-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)benzamide
CID 173165788
N-[(3-methylphenyl)methyl]-2-phenyl-N-propan-2-ylpropanamide
CID 50979991
N-benzyl-N-(1-methoxypropan-2-yl)-2,2-dimethylpropanamide
CID 117060748

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-[(2R)-1-methoxypropan-2-yl]-N-[(3-methylphenyl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 2-(difluoromethyl)-N-[(2R)-1-methoxypropan-2-yl]-N-[(3-methylphenyl)methyl]pyrazole-3-carboxamide (CID 51586593) is 2-(difluoromethyl)-N-[(2R)-1-methoxypropan-2-yl]-N-[(3-methylphenyl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-N-[(2R)-1-methoxypropan-2-yl]-N-[(3-methylphenyl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-N-[(2R)-1-methoxypropan-2-yl]-N-[(3-methylphenyl)methyl]pyrazole-3-carboxamide is COC[C@@H](C)N(Cc1cccc(C)c1)C(=O)c1ccnn1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-N-[(2R)-1-methoxypropan-2-yl]-N-[(3-methylphenyl)methyl]pyrazole-3-carboxamide?
The InChIKey is MZKZGTQENIWSMG-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21F2N3O2/c1-12-5-4-6-14(9-12)10-21(13(2)11-24-3)16(23)15-7-8-20-22(15)17(18)19/h4-9,13,17H,10-11H2,1-3H3/t13-/m1/s1.
What are the key properties of 2-(difluoromethyl)-N-[(2R)-1-methoxypropan-2-yl]-N-[(3-methylphenyl)methyl]pyrazole-3-carboxamide?
2-(difluoromethyl)-N-[(2R)-1-methoxypropan-2-yl]-N-[(3-methylphenyl)methyl]pyrazole-3-carboxamide has a molecular weight of 337.37 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-[(2R)-1-methoxypropan-2-yl]-N-[(3-methylphenyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 51586593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).