(2S)-2-[3-(2-methoxyphenyl)-4-methylpyrazol-1-yl]-N,N-dimethylbutanamide

C17H23N3O2 — CID 94865200

IUPAC(2S)-2-[3-(2-methoxyphenyl)-4-methylpyrazol-1-yl]-N,N-dimethylbutanamide
SMILESCC[C@@H](C(=O)N(C)C)n1cc(C)c(-c2ccccc2OC)n1
InChIInChI=1S/C17H23N3O2/c1-6-14(17(21)19(3)4)20-11-12(2)16(18-20)13-9-7-8-10-15(13)22-5/h7-11,14H,6H2,1-5H3/t14-/m0/s1
InChIKeyWYHHHLAQGOOIMU-AWEZNQCLSA-N
MW301.39 g/mol
LogP2.91
Rot. Bonds5

About (2S)-2-[3-(2-methoxyphenyl)-4-methylpyrazol-1-yl]-N,N-dimethylbutanamide

(2S)-2-[3-(2-methoxyphenyl)-4-methylpyrazol-1-yl]-N,N-dimethylbutanamide (PubChem CID 94865200) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (2S)-2-[3-(2-methoxyphenyl)-4-methylpyrazol-1-yl]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-[3-(2-methoxyphenyl)-4-methylpyrazol-1-yl]-N,N-dimethylbutanamide
PubChem CID94865200
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(2S)-2-[3-(2-methoxyphenyl)-4-methylpyrazol-1-yl]-N,N-dimethylbutanamide
SMILESCC[C@@H](C(=O)N(C)C)n1cc(C)c(-c2ccccc2OC)n1
InChIInChI=1S/C17H23N3O2/c1-6-14(17(21)19(3)4)20-11-12(2)16(18-20)13-9-7-8-10-15(13)22-5/h7-11,14H,6H2,1-5H3/t14-/m0/s1
InChIKeyWYHHHLAQGOOIMU-AWEZNQCLSA-N
XLogP2.91
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N,N-dimethyl-2-(3-phenyl-4-propylpyrazol-1-yl)butanamide
CID 94865204
1-ethyl-3-(2-methoxyphenyl)pyrazole-4-carboxylic acid
CID 20848740
2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-di(propan-2-yl)acetamide
CID 7515663
ethyl (2S)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]propanoate
CID 7662608
[(2R)-1-oxo-1-(propylamino)propan-2-yl] 3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxylate
CID 8985765
2-[(2-methoxyphenyl)methyl-methylamino]-N,N-dimethylpropanamide
CID 78815655
3-(2-methoxyphenyl)-1-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide;hydrochloride
CID 120827546
ethyl (2S)-2-(2-methoxyphenyl)propanoate
CID 129388209
3-[2-(difluoromethoxy)phenyl]-1-ethylpyrazole-4-carboxylic acid
CID 61264924
N,1-diethyl-3-(2-methoxyphenyl)-N-methylpyrazole-5-carboxamide
CID 42879366
4-(2-methoxyphenyl)-N,N-dimethylpyrrolo[1,2-b]pyridazine-2-carboxamide
CID 134788455
2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2,4,5-trimethylphenyl)propan-1-one
CID 4963473

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-(2-methoxyphenyl)-4-methylpyrazol-1-yl]-N,N-dimethylbutanamide?
The IUPAC name of (2S)-2-[3-(2-methoxyphenyl)-4-methylpyrazol-1-yl]-N,N-dimethylbutanamide (CID 94865200) is (2S)-2-[3-(2-methoxyphenyl)-4-methylpyrazol-1-yl]-N,N-dimethylbutanamide.
What is the SMILES notation for (2S)-2-[3-(2-methoxyphenyl)-4-methylpyrazol-1-yl]-N,N-dimethylbutanamide?
The canonical SMILES for (2S)-2-[3-(2-methoxyphenyl)-4-methylpyrazol-1-yl]-N,N-dimethylbutanamide is CC[C@@H](C(=O)N(C)C)n1cc(C)c(-c2ccccc2OC)n1.
What is the InChIKey of (2S)-2-[3-(2-methoxyphenyl)-4-methylpyrazol-1-yl]-N,N-dimethylbutanamide?
The InChIKey is WYHHHLAQGOOIMU-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-6-14(17(21)19(3)4)20-11-12(2)16(18-20)13-9-7-8-10-15(13)22-5/h7-11,14H,6H2,1-5H3/t14-/m0/s1.
What are the key properties of (2S)-2-[3-(2-methoxyphenyl)-4-methylpyrazol-1-yl]-N,N-dimethylbutanamide?
(2S)-2-[3-(2-methoxyphenyl)-4-methylpyrazol-1-yl]-N,N-dimethylbutanamide has a molecular weight of 301.39 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-(2-methoxyphenyl)-4-methylpyrazol-1-yl]-N,N-dimethylbutanamide is sourced from PubChem (CID 94865200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).