2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[(2R)-2-phenylbutyl]acetamide

C18H23F2N3O — CID 94815907

IUPAC2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[(2R)-2-phenylbutyl]acetamide
SMILESCC[C@@H](CNC(=O)Cc1c(C)nn(C(F)F)c1C)c1ccccc1
InChIInChI=1S/C18H23F2N3O/c1-4-14(15-8-6-5-7-9-15)11-21-17(24)10-16-12(2)22-23(13(16)3)18(19)20/h5-9,14,18H,4,10-11H2,1-3H3,(H,21,24)/t14-/m0/s1
InChIKeyAWVOLNFAPZXAPJ-AWEZNQCLSA-N
MW335.40 g/mol
LogP3.75
Rot. Bonds7

About 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[(2R)-2-phenylbutyl]acetamide

2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[(2R)-2-phenylbutyl]acetamide (PubChem CID 94815907) has the molecular formula C18H23F2N3O and a molecular weight of 335.40 g/mol. Its IUPAC name is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[(2R)-2-phenylbutyl]acetamide.

Molecular Properties

Compound Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[(2R)-2-phenylbutyl]acetamide
PubChem CID94815907
Molecular FormulaC18H23F2N3O
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[(2R)-2-phenylbutyl]acetamide
SMILESCC[C@@H](CNC(=O)Cc1c(C)nn(C(F)F)c1C)c1ccccc1
InChIInChI=1S/C18H23F2N3O/c1-4-14(15-8-6-5-7-9-15)11-21-17(24)10-16-12(2)22-23(13(16)3)18(19)20/h5-9,14,18H,4,10-11H2,1-3H3,(H,21,24)/t14-/m0/s1
InChIKeyAWVOLNFAPZXAPJ-AWEZNQCLSA-N
XLogP3.75
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[(2R)-2-phenylbutyl]acetamide 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

N-[2-(benzenesulfonyl)ethyl]-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 48680946
N-[2-(1,3-benzothiazol-2-yl)propyl]-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 86858173
N-[(2S)-2-hydroxy-2-phenylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 93033990
2-(4-hydroxyphenyl)-N-(2-phenylbutyl)acetamide
CID 78807076
N-[2-oxo-2-(2-phenylbutylamino)ethyl]-2-phenylacetamide
CID 51252058
5-[[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]methyl]furan-2-carboxylic acid
CID 119246060
(2S)-2-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2-methylpentanoic acid
CID 97324057
2-(4-bromophenyl)-N-(2-phenylbutyl)acetamide
CID 43017681
N-[2-(diethylamino)-2-phenylethyl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 46446709
3-[[2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetyl]amino]-2-phenylpropanoic acid
CID 120528892
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide
CID 111481168
N-(3,3-diphenylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 24663985

Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[(2R)-2-phenylbutyl]acetamide?
The IUPAC name of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[(2R)-2-phenylbutyl]acetamide (CID 94815907) is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[(2R)-2-phenylbutyl]acetamide.
What is the SMILES notation for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[(2R)-2-phenylbutyl]acetamide?
The canonical SMILES for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[(2R)-2-phenylbutyl]acetamide is CC[C@@H](CNC(=O)Cc1c(C)nn(C(F)F)c1C)c1ccccc1.
What is the InChIKey of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[(2R)-2-phenylbutyl]acetamide?
The InChIKey is AWVOLNFAPZXAPJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23F2N3O/c1-4-14(15-8-6-5-7-9-15)11-21-17(24)10-16-12(2)22-23(13(16)3)18(19)20/h5-9,14,18H,4,10-11H2,1-3H3,(H,21,24)/t14-/m0/s1.
What are the key properties of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[(2R)-2-phenylbutyl]acetamide?
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[(2R)-2-phenylbutyl]acetamide has a molecular weight of 335.40 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[(2R)-2-phenylbutyl]acetamide is sourced from PubChem (CID 94815907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).