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

C14H14F3N3O2 — CID 19474471

IUPACN-[2-(difluoromethoxy)-4-fluorophenyl]-1-ethyl-3-methylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc(F)cc2OC(F)F)c(C)n1
InChIInChI=1S/C14H14F3N3O2/c1-3-20-7-10(8(2)19-20)13(21)18-11-5-4-9(15)6-12(11)22-14(16)17/h4-7,14H,3H2,1-2H3,(H,18,21)
InChIKeyGDWWKOWMMSKWFN-UHFFFAOYSA-N
MW313.28 g/mol
LogP3.20
Rot. Bonds5

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

N-[2-(difluoromethoxy)-4-fluorophenyl]-1-ethyl-3-methylpyrazole-4-carboxamide (PubChem CID 19474471) has the molecular formula C14H14F3N3O2 and a molecular weight of 313.28 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)-4-fluorophenyl]-1-ethyl-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)-4-fluorophenyl]-1-ethyl-3-methylpyrazole-4-carboxamide
PubChem CID19474471
Molecular FormulaC14H14F3N3O2
Molecular Weight313.28 g/mol
Exact Mass313.10
IUPAC NameN-[2-(difluoromethoxy)-4-fluorophenyl]-1-ethyl-3-methylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc(F)cc2OC(F)F)c(C)n1
InChIInChI=1S/C14H14F3N3O2/c1-3-20-7-10(8(2)19-20)13(21)18-11-5-4-9(15)6-12(11)22-14(16)17/h4-7,14H,3H2,1-2H3,(H,18,21)
InChIKeyGDWWKOWMMSKWFN-UHFFFAOYSA-N
XLogP3.20
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(difluoromethoxy)-4-methylphenyl]-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474320
N-[2-(difluoromethoxy)-4-fluorophenyl]-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416613
N-[2-(difluoromethoxy)-4-fluorophenyl]-4-iodo-1-methylpyrazole-3-carboxamide
CID 19262147
N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(3-methylpyrazol-1-yl)acetamide
CID 19517063
1-ethyl-3-methyl-N-[2-(2-methylprop-2-enoxy)phenyl]pyrazole-4-carboxamide
CID 131895828
4-chloro-N-[2-(difluoromethoxy)-4-fluorophenyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19266958
methyl 1-ethyl-4-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]pyrazole-3-carboxylate
CID 19474420
N-(4-fluoro-2-methylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 35523427
N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 19525992
2-(difluoromethoxy)-N-[(1-ethylpyrazol-4-yl)methyl]-4-fluoroaniline
CID 75392529
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[2-(difluoromethoxy)-4-fluorophenyl]pyrazole-3-carboxamide
CID 19275512
N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19533289

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)-4-fluorophenyl]-1-ethyl-3-methylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(difluoromethoxy)-4-fluorophenyl]-1-ethyl-3-methylpyrazole-4-carboxamide (CID 19474471) is N-[2-(difluoromethoxy)-4-fluorophenyl]-1-ethyl-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(difluoromethoxy)-4-fluorophenyl]-1-ethyl-3-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(difluoromethoxy)-4-fluorophenyl]-1-ethyl-3-methylpyrazole-4-carboxamide is CCn1cc(C(=O)Nc2ccc(F)cc2OC(F)F)c(C)n1.
What is the InChIKey of N-[2-(difluoromethoxy)-4-fluorophenyl]-1-ethyl-3-methylpyrazole-4-carboxamide?
The InChIKey is GDWWKOWMMSKWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2/c1-3-20-7-10(8(2)19-20)13(21)18-11-5-4-9(15)6-12(11)22-14(16)17/h4-7,14H,3H2,1-2H3,(H,18,21).
What are the key properties of N-[2-(difluoromethoxy)-4-fluorophenyl]-1-ethyl-3-methylpyrazole-4-carboxamide?
N-[2-(difluoromethoxy)-4-fluorophenyl]-1-ethyl-3-methylpyrazole-4-carboxamide has a molecular weight of 313.28 g/mol, XLogP of 3.20, 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-fluorophenyl]-1-ethyl-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 19474471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).