N-(5-chloro-2-hydroxyphenyl)-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide

C17H13ClFN3O3 — CID 19269235

IUPACN-(5-chloro-2-hydroxyphenyl)-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1O)c1ccn(COc2ccc(F)cc2)n1
InChIInChI=1S/C17H13ClFN3O3/c18-11-1-6-16(23)15(9-11)20-17(24)14-7-8-22(21-14)10-25-13-4-2-12(19)3-5-13/h1-9,23H,10H2,(H,20,24)
InChIKeyXZEHHMXESPRBDE-UHFFFAOYSA-N
MW361.76 g/mol
LogP3.67
Rot. Bonds5

About N-(5-chloro-2-hydroxyphenyl)-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide

N-(5-chloro-2-hydroxyphenyl)-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide (PubChem CID 19269235) has the molecular formula C17H13ClFN3O3 and a molecular weight of 361.76 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide
PubChem CID19269235
Molecular FormulaC17H13ClFN3O3
Molecular Weight361.76 g/mol
Exact Mass361.06
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1O)c1ccn(COc2ccc(F)cc2)n1
InChIInChI=1S/C17H13ClFN3O3/c18-11-1-6-16(23)15(9-11)20-17(24)14-7-8-22(21-14)10-25-13-4-2-12(19)3-5-13/h1-9,23H,10H2,(H,20,24)
InChIKeyXZEHHMXESPRBDE-UHFFFAOYSA-N
XLogP3.67
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.76
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-hydroxyphenyl)-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19271046
1-[(4-chlorophenoxy)methyl]-N-(2-hydroxy-5-nitrophenyl)pyrazole-3-carboxamide
CID 19280428
N-(5-chloro-2-hydroxyphenyl)-1-[(4-chloro-2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19277666
N-(5-chloro-2-hydroxyphenyl)-1-[(2-chloro-5-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19275548
N-(2,4-difluorophenyl)-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19581536
N-(5-chloro-2-hydroxyphenyl)-1-ethylpyrazole-3-carboxamide
CID 19262175
N-(2,6-dichlorophenyl)-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19269237
1-[(4-chlorophenoxy)methyl]-N-(4-chlorophenyl)pyrazole-3-carboxamide
CID 17021150
N-(5-ethylsulfonyl-2-hydroxyphenyl)-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide
CID 19273318
1-[(4-fluorophenoxy)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide
CID 19269246
N-(4-ethylphenyl)-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19269256
1-[(3-chloro-4-fluorophenoxy)methyl]-N-(2,3,4,5,6-pentafluorophenyl)pyrazole-3-carboxamide
CID 19268693

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide (CID 19269235) is N-(5-chloro-2-hydroxyphenyl)-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide is O=C(Nc1cc(Cl)ccc1O)c1ccn(COc2ccc(F)cc2)n1.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide?
The InChIKey is XZEHHMXESPRBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O3/c18-11-1-6-16(23)15(9-11)20-17(24)14-7-8-22(21-14)10-25-13-4-2-12(19)3-5-13/h1-9,23H,10H2,(H,20,24).
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide?
N-(5-chloro-2-hydroxyphenyl)-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide has a molecular weight of 361.76 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19269235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).