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

C18H23F2N3O3 — CID 19519475

IUPACN-[(3,4-diethoxyphenyl)methyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
SMILESCCOc1ccc(CNC(=O)Cn2nc(C(F)F)cc2C)cc1OCC
InChIInChI=1S/C18H23F2N3O3/c1-4-25-15-7-6-13(9-16(15)26-5-2)10-21-17(24)11-23-12(3)8-14(22-23)18(19)20/h6-9,18H,4-5,10-11H2,1-3H3,(H,21,24)
InChIKeyVIWZPHGCTVRYPQ-UHFFFAOYSA-N
MW367.40 g/mol
LogP3.24
Rot. Bonds9

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

N-[(3,4-diethoxyphenyl)methyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide (PubChem CID 19519475) has the molecular formula C18H23F2N3O3 and a molecular weight of 367.40 g/mol. Its IUPAC name is N-[(3,4-diethoxyphenyl)methyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(3,4-diethoxyphenyl)methyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
PubChem CID19519475
Molecular FormulaC18H23F2N3O3
Molecular Weight367.40 g/mol
Exact Mass367.17
IUPAC NameN-[(3,4-diethoxyphenyl)methyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
SMILESCCOc1ccc(CNC(=O)Cn2nc(C(F)F)cc2C)cc1OCC
InChIInChI=1S/C18H23F2N3O3/c1-4-25-15-7-6-13(9-16(15)26-5-2)10-21-17(24)11-23-12(3)8-14(22-23)18(19)20/h6-9,18H,4-5,10-11H2,1-3H3,(H,21,24)
InChIKeyVIWZPHGCTVRYPQ-UHFFFAOYSA-N
XLogP3.24
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(3,4-diethoxyphenyl)methyl]acetamide
CID 19520373
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(3,4-diethoxyphenyl)methyl]acetamide
CID 19523413
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide
CID 19519400
2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]acetamide
CID 20948383
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 119716002
2-(4-bromo-3-methylpyrazol-1-yl)-N-[(3,4-diethoxyphenyl)methyl]propanamide
CID 19533439
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[4-(difluoromethoxy)-3-ethoxyphenyl]acetamide
CID 19518208
N-[(3,4-diethoxyphenyl)methyl]-2-phenoxyacetamide
CID 6472714
2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-[(3,4-diethoxyphenyl)methyl]acetamide
CID 100532693
N-[(3,4-diethoxyphenyl)methyl]-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide
CID 53111925
2-(4-aminophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]acetamide
CID 119781593
2-(2-bromo-4,5-diethoxyphenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 31553468

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-diethoxyphenyl)methyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide?
The IUPAC name of N-[(3,4-diethoxyphenyl)methyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide (CID 19519475) is N-[(3,4-diethoxyphenyl)methyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide.
What is the SMILES notation for N-[(3,4-diethoxyphenyl)methyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide?
The canonical SMILES for N-[(3,4-diethoxyphenyl)methyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide is CCOc1ccc(CNC(=O)Cn2nc(C(F)F)cc2C)cc1OCC.
What is the InChIKey of N-[(3,4-diethoxyphenyl)methyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide?
The InChIKey is VIWZPHGCTVRYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N3O3/c1-4-25-15-7-6-13(9-16(15)26-5-2)10-21-17(24)11-23-12(3)8-14(22-23)18(19)20/h6-9,18H,4-5,10-11H2,1-3H3,(H,21,24).
What are the key properties of N-[(3,4-diethoxyphenyl)methyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide?
N-[(3,4-diethoxyphenyl)methyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide has a molecular weight of 367.40 g/mol, XLogP of 3.24, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-diethoxyphenyl)methyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide is sourced from PubChem (CID 19519475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).