1-[(4-bromophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]pyrazole-3-carboxamide

C18H14BrF2N3O3 — CID 19272389

IUPAC1-[(4-bromophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]pyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1OC(F)F)c1ccn(COc2ccc(Br)cc2)n1
InChIInChI=1S/C18H14BrF2N3O3/c19-12-5-7-13(8-6-12)26-11-24-10-9-15(23-24)17(25)22-14-3-1-2-4-16(14)27-18(20)21/h1-10,18H,11H2,(H,22,25)
InChIKeyNPCMLCNBDFSYND-UHFFFAOYSA-N
MW438.23 g/mol
LogP4.54
Rot. Bonds7

About 1-[(4-bromophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]pyrazole-3-carboxamide

1-[(4-bromophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]pyrazole-3-carboxamide (PubChem CID 19272389) has the molecular formula C18H14BrF2N3O3 and a molecular weight of 438.23 g/mol. Its IUPAC name is 1-[(4-bromophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(4-bromophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]pyrazole-3-carboxamide
PubChem CID19272389
Molecular FormulaC18H14BrF2N3O3
Molecular Weight438.23 g/mol
Exact Mass437.02
IUPAC Name1-[(4-bromophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]pyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1OC(F)F)c1ccn(COc2ccc(Br)cc2)n1
InChIInChI=1S/C18H14BrF2N3O3/c19-12-5-7-13(8-6-12)26-11-24-10-9-15(23-24)17(25)22-14-3-1-2-4-16(14)27-18(20)21/h1-10,18H,11H2,(H,22,25)
InChIKeyNPCMLCNBDFSYND-UHFFFAOYSA-N
XLogP4.54
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.23
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2,6-dichlorophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]pyrazole-3-carboxamide
CID 19269950
3-[3-[[2-(difluoromethoxy)phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19506596
N-(2-ethoxyphenyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 35325576
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[2-(difluoromethoxy)-4-fluorophenyl]pyrazole-3-carboxamide
CID 19275512
N-[2-(difluoromethoxy)phenyl]-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide
CID 19265825
1-[(4-bromophenoxy)methyl]-N-(5-bromoquinolin-8-yl)pyrazole-3-carboxamide
CID 19272261
1-[(2,4-dichlorophenoxy)methyl]-N-[2-(difluoromethoxy)-4-fluorophenyl]pyrazole-3-carboxamide
CID 19270400
1-[(4-bromophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19286005
1-[(4-bromophenoxy)methyl]-N-ethylpyrazole-3-carboxamide
CID 19272514
1-(phenoxymethyl)-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 19581546
1-[(2-chlorophenoxy)methyl]-N-(2-fluorophenyl)pyrazole-3-carboxamide
CID 4774958
N-[4-(difluoromethoxy)-2-methylphenyl]-1-[(2,6-dimethoxyphenoxy)methyl]pyrazole-3-carboxamide
CID 19277201

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[(4-bromophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]pyrazole-3-carboxamide (CID 19272389) is 1-[(4-bromophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(4-bromophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[(4-bromophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]pyrazole-3-carboxamide is O=C(Nc1ccccc1OC(F)F)c1ccn(COc2ccc(Br)cc2)n1.
What is the InChIKey of 1-[(4-bromophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]pyrazole-3-carboxamide?
The InChIKey is NPCMLCNBDFSYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrF2N3O3/c19-12-5-7-13(8-6-12)26-11-24-10-9-15(23-24)17(25)22-14-3-1-2-4-16(14)27-18(20)21/h1-10,18H,11H2,(H,22,25).
What are the key properties of 1-[(4-bromophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]pyrazole-3-carboxamide?
1-[(4-bromophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]pyrazole-3-carboxamide has a molecular weight of 438.23 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19272389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).