N-[3-(3,4-difluorophenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxyacetamide

C14H15F2N3O2 — CID 42686616

IUPACN-[3-(3,4-difluorophenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxyacetamide
SMILESCCc1[nH]nc(-c2ccc(F)c(F)c2)c1NC(=O)COC
InChIInChI=1S/C14H15F2N3O2/c1-3-11-14(17-12(20)7-21-2)13(19-18-11)8-4-5-9(15)10(16)6-8/h4-6H,3,7H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyTVBJTTZMHWSFPA-UHFFFAOYSA-N
MW295.29 g/mol
LogP2.50
Rot. Bonds5

About N-[3-(3,4-difluorophenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxyacetamide

N-[3-(3,4-difluorophenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxyacetamide (PubChem CID 42686616) has the molecular formula C14H15F2N3O2 and a molecular weight of 295.29 g/mol. Its IUPAC name is N-[3-(3,4-difluorophenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[3-(3,4-difluorophenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxyacetamide
PubChem CID42686616
Molecular FormulaC14H15F2N3O2
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC NameN-[3-(3,4-difluorophenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxyacetamide
SMILESCCc1[nH]nc(-c2ccc(F)c(F)c2)c1NC(=O)COC
InChIInChI=1S/C14H15F2N3O2/c1-3-11-14(17-12(20)7-21-2)13(19-18-11)8-4-5-9(15)10(16)6-8/h4-6H,3,7H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyTVBJTTZMHWSFPA-UHFFFAOYSA-N
XLogP2.50
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]propanamide
CID 42686249
N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-2-methylpropanamide
CID 42686254
N-[5-ethyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]acetamide
CID 42686255
N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]propanamide
CID 42686272
N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]propanamide
CID 42686302
N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-methylpropanamide
CID 42686308
3,3-Dimethyl-N-{5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-YL}butanamide
CID 42686494
3-Methyl-N-{5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-YL}butanamide
CID 42686503
N-{5-Propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-YL}propanamide
CID 42686560
2-Methyl-N-{5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-YL}propanamide
CID 42686566
methyl N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]carbamate
CID 42686579
N-[3-(3,4-difluorophenyl)-5-ethyl-1H-pyrazol-4-yl]propanamide
CID 42686600

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-difluorophenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxyacetamide?
The IUPAC name of N-[3-(3,4-difluorophenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxyacetamide (CID 42686616) is N-[3-(3,4-difluorophenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[3-(3,4-difluorophenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxyacetamide?
The canonical SMILES for N-[3-(3,4-difluorophenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxyacetamide is CCc1[nH]nc(-c2ccc(F)c(F)c2)c1NC(=O)COC.
What is the InChIKey of N-[3-(3,4-difluorophenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxyacetamide?
The InChIKey is TVBJTTZMHWSFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O2/c1-3-11-14(17-12(20)7-21-2)13(19-18-11)8-4-5-9(15)10(16)6-8/h4-6H,3,7H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-[3-(3,4-difluorophenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxyacetamide?
N-[3-(3,4-difluorophenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxyacetamide has a molecular weight of 295.29 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-difluorophenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxyacetamide is sourced from PubChem (CID 42686616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).