N-(3-acetylphenyl)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanamide

C17H21N3O2 — CID 16877058

IUPACN-(3-acetylphenyl)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanamide
SMILESCC(=O)c1cccc(NC(=O)C(C)Cn2nc(C)cc2C)c1
InChIInChI=1S/C17H21N3O2/c1-11(10-20-13(3)8-12(2)19-20)17(22)18-16-7-5-6-15(9-16)14(4)21/h5-9,11H,10H2,1-4H3,(H,18,22)
InChIKeyLNVRTIVIRHKHAI-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.98
Rot. Bonds5

About N-(3-acetylphenyl)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanamide

N-(3-acetylphenyl)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanamide (PubChem CID 16877058) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanamide
PubChem CID16877058
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-(3-acetylphenyl)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanamide
SMILESCC(=O)c1cccc(NC(=O)C(C)Cn2nc(C)cc2C)c1
InChIInChI=1S/C17H21N3O2/c1-11(10-20-13(3)8-12(2)19-20)17(22)18-16-7-5-6-15(9-16)14(4)21/h5-9,11H,10H2,1-4H3,(H,18,22)
InChIKeyLNVRTIVIRHKHAI-UHFFFAOYSA-N
XLogP2.98
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(3-acetylphenyl)-2-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 42563471
3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-pyridin-2-ylpropanamide
CID 15943520
(2R)-N-(3-hydroxyphenyl)-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 51390828
(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 42588574
3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzoic acid
CID 43431779
1-(3-acetylphenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)urea
CID 39742337
(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoic acid
CID 845395
methyl 3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoate
CID 43538173
1-(3-chlorophenyl)-3-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]urea
CID 19590515
(2R)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide;hydrochloride
CID 119294780
(2S)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide;hydrochloride
CID 119294768
N-(3-acetylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 61059268

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanamide?
The IUPAC name of N-(3-acetylphenyl)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanamide (CID 16877058) is N-(3-acetylphenyl)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanamide?
The canonical SMILES for N-(3-acetylphenyl)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanamide is CC(=O)c1cccc(NC(=O)C(C)Cn2nc(C)cc2C)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanamide?
The InChIKey is LNVRTIVIRHKHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-11(10-20-13(3)8-12(2)19-20)17(22)18-16-7-5-6-15(9-16)14(4)21/h5-9,11H,10H2,1-4H3,(H,18,22).
What are the key properties of N-(3-acetylphenyl)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanamide?
N-(3-acetylphenyl)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanamide has a molecular weight of 299.37 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanamide is sourced from PubChem (CID 16877058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).