N-[2-(difluoromethoxy)-4-methylphenyl]-1-ethyl-3-methylpyrazole-4-carboxamide

C15H17F2N3O2 — CID 19474320

IUPACN-[2-(difluoromethoxy)-4-methylphenyl]-1-ethyl-3-methylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc(C)cc2OC(F)F)c(C)n1
InChIInChI=1S/C15H17F2N3O2/c1-4-20-8-11(10(3)19-20)14(21)18-12-6-5-9(2)7-13(12)22-15(16)17/h5-8,15H,4H2,1-3H3,(H,18,21)
InChIKeyGNAYNWJSPQJLRY-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.37
Rot. Bonds5

About N-[2-(difluoromethoxy)-4-methylphenyl]-1-ethyl-3-methylpyrazole-4-carboxamide

N-[2-(difluoromethoxy)-4-methylphenyl]-1-ethyl-3-methylpyrazole-4-carboxamide (PubChem CID 19474320) has the molecular formula C15H17F2N3O2 and a molecular weight of 309.32 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)-4-methylphenyl]-1-ethyl-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)-4-methylphenyl]-1-ethyl-3-methylpyrazole-4-carboxamide
PubChem CID19474320
Molecular FormulaC15H17F2N3O2
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC NameN-[2-(difluoromethoxy)-4-methylphenyl]-1-ethyl-3-methylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc(C)cc2OC(F)F)c(C)n1
InChIInChI=1S/C15H17F2N3O2/c1-4-20-8-11(10(3)19-20)14(21)18-12-6-5-9(2)7-13(12)22-15(16)17/h5-8,15H,4H2,1-3H3,(H,18,21)
InChIKeyGNAYNWJSPQJLRY-UHFFFAOYSA-N
XLogP3.37
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(difluoromethoxy)-4-fluorophenyl]-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474471
N-[2-(difluoromethoxy)-4-fluorophenyl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416613
2-[3-[[2-(difluoromethoxy)-4-methylphenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504196
methyl 1-ethyl-4-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]pyrazole-3-carboxylate
CID 19474420
1-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-3-[2-(difluoromethoxy)-4-methylphenyl]-1-methylthiourea
CID 19456105
1-ethyl-3-methyl-N-[2-(2-methylprop-2-enoxy)phenyl]pyrazole-4-carboxamide
CID 131895828
1-ethyl-N-(2-hydroxy-4-nitrophenyl)-3-methylpyrazole-4-carboxamide
CID 19474478
N-[2-(difluoromethoxy)-4-methylphenyl]-1-ethylpyrazole-4-sulfonamide
CID 22206076
2-(difluoromethoxy)-N-(2-methoxy-5-methylphenyl)benzamide
CID 2441885
N-[2-(difluoromethoxy)-4-methylphenyl]-2-(5-methyl-3-nitropyrazol-1-yl)butanamide
CID 19553510
4-chloro-N-[2-(difluoromethoxy)-4-methylphenyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481621
4-bromo-N-[2-(difluoromethoxy)-4-methylphenyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19268276

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)-4-methylphenyl]-1-ethyl-3-methylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(difluoromethoxy)-4-methylphenyl]-1-ethyl-3-methylpyrazole-4-carboxamide (CID 19474320) is N-[2-(difluoromethoxy)-4-methylphenyl]-1-ethyl-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(difluoromethoxy)-4-methylphenyl]-1-ethyl-3-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(difluoromethoxy)-4-methylphenyl]-1-ethyl-3-methylpyrazole-4-carboxamide is CCn1cc(C(=O)Nc2ccc(C)cc2OC(F)F)c(C)n1.
What is the InChIKey of N-[2-(difluoromethoxy)-4-methylphenyl]-1-ethyl-3-methylpyrazole-4-carboxamide?
The InChIKey is GNAYNWJSPQJLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O2/c1-4-20-8-11(10(3)19-20)14(21)18-12-6-5-9(2)7-13(12)22-15(16)17/h5-8,15H,4H2,1-3H3,(H,18,21).
What are the key properties of N-[2-(difluoromethoxy)-4-methylphenyl]-1-ethyl-3-methylpyrazole-4-carboxamide?
N-[2-(difluoromethoxy)-4-methylphenyl]-1-ethyl-3-methylpyrazole-4-carboxamide has a molecular weight of 309.32 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)-4-methylphenyl]-1-ethyl-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 19474320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).