1-[(2,3-dichlorophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]pyrazole-3-carboxamide

C19H15Cl2F2N3O3 — CID 19269681

IUPAC1-[(2,3-dichlorophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]pyrazole-3-carboxamide
SMILESCc1cc(OC(F)F)ccc1NC(=O)c1ccn(COc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C19H15Cl2F2N3O3/c1-11-9-12(29-19(22)23)5-6-14(11)24-18(27)15-7-8-26(25-15)10-28-16-4-2-3-13(20)17(16)21/h2-9,19H,10H2,1H3,(H,24,27)
InChIKeyIZBZNNHLZDVUFV-UHFFFAOYSA-N
MW442.25 g/mol
LogP5.39
Rot. Bonds7

About 1-[(2,3-dichlorophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]pyrazole-3-carboxamide

1-[(2,3-dichlorophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]pyrazole-3-carboxamide (PubChem CID 19269681) has the molecular formula C19H15Cl2F2N3O3 and a molecular weight of 442.25 g/mol. Its IUPAC name is 1-[(2,3-dichlorophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(2,3-dichlorophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]pyrazole-3-carboxamide
PubChem CID19269681
Molecular FormulaC19H15Cl2F2N3O3
Molecular Weight442.25 g/mol
Exact Mass441.05
IUPAC Name1-[(2,3-dichlorophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]pyrazole-3-carboxamide
SMILESCc1cc(OC(F)F)ccc1NC(=O)c1ccn(COc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C19H15Cl2F2N3O3/c1-11-9-12(29-19(22)23)5-6-14(11)24-18(27)15-7-8-26(25-15)10-28-16-4-2-3-13(20)17(16)21/h2-9,19H,10H2,1H3,(H,24,27)
InChIKeyIZBZNNHLZDVUFV-UHFFFAOYSA-N
XLogP5.39
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.25
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(difluoromethoxy)-2-methylphenyl]-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide
CID 19277201
N-[4-(difluoromethoxy)-2-methylphenyl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19280016
1-[(2,3-dichlorophenoxy)methyl]-N-(2,5-dimethylphenyl)pyrazole-3-carboxamide
CID 19269620
N-(5-chloro-2-methylphenyl)-1-[(2,3-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19269515
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[2-(difluoromethoxy)-4-fluorophenyl]pyrazole-3-carboxamide
CID 19275512
1-[(2,6-dichlorophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]pyrazole-3-carboxamide
CID 19269950
5-[(2,3-dichlorophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]furan-2-carboxamide
CID 19415790
1-[(2,3-dichlorophenoxy)methyl]-N-phenylpyrazole-3-carboxamide
CID 19269594
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-(3-chloro-2-methylphenyl)pyrazole-3-carboxamide
CID 19275232
1-[(2-chlorophenoxy)methyl]-N-(2,3-dimethylphenyl)pyrazole-3-carboxamide
CID 17022012
1-[(2-chlorophenoxy)methyl]-N-(2,5-dimethylphenyl)pyrazole-3-carboxamide
CID 19265181
1-[(2,4-dichlorophenoxy)methyl]-N-[2-(difluoromethoxy)-4-fluorophenyl]pyrazole-3-carboxamide
CID 19270400

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dichlorophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[(2,3-dichlorophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]pyrazole-3-carboxamide (CID 19269681) is 1-[(2,3-dichlorophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(2,3-dichlorophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[(2,3-dichlorophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]pyrazole-3-carboxamide is Cc1cc(OC(F)F)ccc1NC(=O)c1ccn(COc2cccc(Cl)c2Cl)n1.
What is the InChIKey of 1-[(2,3-dichlorophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]pyrazole-3-carboxamide?
The InChIKey is IZBZNNHLZDVUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2F2N3O3/c1-11-9-12(29-19(22)23)5-6-14(11)24-18(27)15-7-8-26(25-15)10-28-16-4-2-3-13(20)17(16)21/h2-9,19H,10H2,1H3,(H,24,27).
What are the key properties of 1-[(2,3-dichlorophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]pyrazole-3-carboxamide?
1-[(2,3-dichlorophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]pyrazole-3-carboxamide has a molecular weight of 442.25 g/mol, XLogP of 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dichlorophenoxy)methyl]-N-[4-(difluoromethoxy)-2-methylphenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19269681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).