1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[2-(difluoromethoxy)-4-fluorophenyl]pyrazole-3-carboxamide

C20H17ClF3N3O3 — CID 19275512

IUPAC1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[2-(difluoromethoxy)-4-fluorophenyl]pyrazole-3-carboxamide
SMILESCc1cc(OCn2ccc(C(=O)Nc3ccc(F)cc3OC(F)F)n2)cc(C)c1Cl
InChIInChI=1S/C20H17ClF3N3O3/c1-11-7-14(8-12(2)18(11)21)29-10-27-6-5-16(26-27)19(28)25-15-4-3-13(22)9-17(15)30-20(23)24/h3-9,20H,10H2,1-2H3,(H,25,28)
InChIKeyLHOVJKPUQQWQGH-UHFFFAOYSA-N
MW439.82 g/mol
LogP5.18
Rot. Bonds7

About 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[2-(difluoromethoxy)-4-fluorophenyl]pyrazole-3-carboxamide

1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[2-(difluoromethoxy)-4-fluorophenyl]pyrazole-3-carboxamide (PubChem CID 19275512) has the molecular formula C20H17ClF3N3O3 and a molecular weight of 439.82 g/mol. Its IUPAC name is 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[2-(difluoromethoxy)-4-fluorophenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[2-(difluoromethoxy)-4-fluorophenyl]pyrazole-3-carboxamide
PubChem CID19275512
Molecular FormulaC20H17ClF3N3O3
Molecular Weight439.82 g/mol
Exact Mass439.09
IUPAC Name1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[2-(difluoromethoxy)-4-fluorophenyl]pyrazole-3-carboxamide
SMILESCc1cc(OCn2ccc(C(=O)Nc3ccc(F)cc3OC(F)F)n2)cc(C)c1Cl
InChIInChI=1S/C20H17ClF3N3O3/c1-11-7-14(8-12(2)18(11)21)29-10-27-6-5-16(26-27)19(28)25-15-4-3-13(22)9-17(15)30-20(23)24/h3-9,20H,10H2,1-2H3,(H,25,28)
InChIKeyLHOVJKPUQQWQGH-UHFFFAOYSA-N
XLogP5.18
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.82
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[2-(difluoromethoxy)-4-fluorophenyl]pyrazole-3-carboxamide with MolForge

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Related Compounds

1-[(2,4-dichlorophenoxy)methyl]-N-[2-(difluoromethoxy)-4-fluorophenyl]pyrazole-3-carboxamide
CID 19270400
N-[4-(difluoromethoxy)-2-methylphenyl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19280016
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrazole-3-carboxamide
CID 19275452
1-[(2,3-dichlorophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]pyrazole-3-carboxamide
CID 19269681
N-[4-(difluoromethoxy)-2-methylphenyl]-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide
CID 19277201
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-(3-chloro-2-methylphenyl)pyrazole-3-carboxamide
CID 19275232
1-[(2-chloro-4-nitrophenoxy)methyl]-N-[2-(difluoromethoxy)-4-methylphenyl]pyrazole-3-carboxamide
CID 19276837
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 4862750
1-[(4-bromophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]pyrazole-3-carboxamide
CID 19272389
1-[(2,6-dichlorophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]pyrazole-3-carboxamide
CID 19269950
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide
CID 19275265
N-(2,4-difluorophenyl)-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19581536

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[2-(difluoromethoxy)-4-fluorophenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[2-(difluoromethoxy)-4-fluorophenyl]pyrazole-3-carboxamide (CID 19275512) is 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[2-(difluoromethoxy)-4-fluorophenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[2-(difluoromethoxy)-4-fluorophenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[2-(difluoromethoxy)-4-fluorophenyl]pyrazole-3-carboxamide is Cc1cc(OCn2ccc(C(=O)Nc3ccc(F)cc3OC(F)F)n2)cc(C)c1Cl.
What is the InChIKey of 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[2-(difluoromethoxy)-4-fluorophenyl]pyrazole-3-carboxamide?
The InChIKey is LHOVJKPUQQWQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF3N3O3/c1-11-7-14(8-12(2)18(11)21)29-10-27-6-5-16(26-27)19(28)25-15-4-3-13(22)9-17(15)30-20(23)24/h3-9,20H,10H2,1-2H3,(H,25,28).
What are the key properties of 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[2-(difluoromethoxy)-4-fluorophenyl]pyrazole-3-carboxamide?
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[2-(difluoromethoxy)-4-fluorophenyl]pyrazole-3-carboxamide has a molecular weight of 439.82 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[2-(difluoromethoxy)-4-fluorophenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19275512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).