2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(3,4-diethoxyphenyl)methyl]acetamide

C20H25F2N3O3 — CID 19520373

IUPAC2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(3,4-diethoxyphenyl)methyl]acetamide
SMILESCCOc1ccc(CNC(=O)Cn2nc(C(F)F)cc2C2CC2)cc1OCC
InChIInChI=1S/C20H25F2N3O3/c1-3-27-17-8-5-13(9-18(17)28-4-2)11-23-19(26)12-25-16(14-6-7-14)10-15(24-25)20(21)22/h5,8-10,14,20H,3-4,6-7,11-12H2,1-2H3,(H,23,26)
InChIKeyBEHLXRFLTSQFBF-UHFFFAOYSA-N
MW393.43 g/mol
LogP3.81
Rot. Bonds10

About 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(3,4-diethoxyphenyl)methyl]acetamide

2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(3,4-diethoxyphenyl)methyl]acetamide (PubChem CID 19520373) has the molecular formula C20H25F2N3O3 and a molecular weight of 393.43 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(3,4-diethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(3,4-diethoxyphenyl)methyl]acetamide
PubChem CID19520373
Molecular FormulaC20H25F2N3O3
Molecular Weight393.43 g/mol
Exact Mass393.19
IUPAC Name2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(3,4-diethoxyphenyl)methyl]acetamide
SMILESCCOc1ccc(CNC(=O)Cn2nc(C(F)F)cc2C2CC2)cc1OCC
InChIInChI=1S/C20H25F2N3O3/c1-3-27-17-8-5-13(9-18(17)28-4-2)11-23-19(26)12-25-16(14-6-7-14)10-15(24-25)20(21)22/h5,8-10,14,20H,3-4,6-7,11-12H2,1-2H3,(H,23,26)
InChIKeyBEHLXRFLTSQFBF-UHFFFAOYSA-N
XLogP3.81
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-diethoxyphenyl)methyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
CID 19519475
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]acetamide
CID 19520306
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(3,4-diethoxyphenyl)methyl]acetamide
CID 19523413
N-(1-adamantylmethyl)-2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide
CID 19520381
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(2,6-dichlorophenyl)acetamide
CID 19520254
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetate
CID 7017067
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 19520222
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 19520264
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 119716002
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 843513
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 19520265
1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 71807793

Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(3,4-diethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(3,4-diethoxyphenyl)methyl]acetamide (CID 19520373) is 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(3,4-diethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(3,4-diethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(3,4-diethoxyphenyl)methyl]acetamide is CCOc1ccc(CNC(=O)Cn2nc(C(F)F)cc2C2CC2)cc1OCC.
What is the InChIKey of 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(3,4-diethoxyphenyl)methyl]acetamide?
The InChIKey is BEHLXRFLTSQFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2N3O3/c1-3-27-17-8-5-13(9-18(17)28-4-2)11-23-19(26)12-25-16(14-6-7-14)10-15(24-25)20(21)22/h5,8-10,14,20H,3-4,6-7,11-12H2,1-2H3,(H,23,26).
What are the key properties of 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(3,4-diethoxyphenyl)methyl]acetamide?
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(3,4-diethoxyphenyl)methyl]acetamide has a molecular weight of 393.43 g/mol, XLogP of 3.81, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(3,4-diethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 19520373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).