N-[2-(difluoromethoxy)-5-methylphenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

C16H16F5N3O2 — CID 19534782

IUPACN-[2-(difluoromethoxy)-5-methylphenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCc1ccc(OC(F)F)c(NC(=O)C(C)n2nc(C(F)(F)F)cc2C)c1
InChIInChI=1S/C16H16F5N3O2/c1-8-4-5-12(26-15(17)18)11(6-8)22-14(25)10(3)24-9(2)7-13(23-24)16(19,20)21/h4-7,10,15H,1-3H3,(H,22,25)
InChIKeyDRLXHCDYUJXQQY-UHFFFAOYSA-N
MW377.31 g/mol
LogP4.32
Rot. Bonds5

About N-[2-(difluoromethoxy)-5-methylphenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

N-[2-(difluoromethoxy)-5-methylphenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 19534782) has the molecular formula C16H16F5N3O2 and a molecular weight of 377.31 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)-5-methylphenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)-5-methylphenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID19534782
Molecular FormulaC16H16F5N3O2
Molecular Weight377.31 g/mol
Exact Mass377.12
IUPAC NameN-[2-(difluoromethoxy)-5-methylphenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCc1ccc(OC(F)F)c(NC(=O)C(C)n2nc(C(F)(F)F)cc2C)c1
InChIInChI=1S/C16H16F5N3O2/c1-8-4-5-12(26-15(17)18)11(6-8)22-14(25)10(3)24-9(2)7-13(23-24)16(19,20)21/h4-7,10,15H,1-3H3,(H,22,25)
InChIKeyDRLXHCDYUJXQQY-UHFFFAOYSA-N
XLogP4.32
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.31
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(difluoromethoxy)phenyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide
CID 19539446
N-[2-(difluoromethoxy)-5-methylphenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530895
N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19534835
N-(2-methylpropyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19534685
4-[[(2R)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]amino]benzoic acid
CID 51388427
(2S)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanehydrazide
CID 7026272
2-(4-chloropyrazol-1-yl)-N-[2-(difluoromethoxy)-5-methylphenyl]propanamide
CID 19538556
1-ethyl-4-[[(2R)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoyl]amino]pyrazole-3-carboxamide
CID 35592634
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2,5-dimethylphenyl)propanamide
CID 19539415
N-cyclopentyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 4772164
N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19394654
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19534842

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)-5-methylphenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of N-[2-(difluoromethoxy)-5-methylphenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 19534782) is N-[2-(difluoromethoxy)-5-methylphenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for N-[2-(difluoromethoxy)-5-methylphenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for N-[2-(difluoromethoxy)-5-methylphenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is Cc1ccc(OC(F)F)c(NC(=O)C(C)n2nc(C(F)(F)F)cc2C)c1.
What is the InChIKey of N-[2-(difluoromethoxy)-5-methylphenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is DRLXHCDYUJXQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F5N3O2/c1-8-4-5-12(26-15(17)18)11(6-8)22-14(25)10(3)24-9(2)7-13(23-24)16(19,20)21/h4-7,10,15H,1-3H3,(H,22,25).
What are the key properties of N-[2-(difluoromethoxy)-5-methylphenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
N-[2-(difluoromethoxy)-5-methylphenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 377.31 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)-5-methylphenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 19534782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).