N-(5-chloro-2-hydroxyphenyl)-1-(phenoxymethyl)pyrazole-3-carboxamide

C17H14ClN3O3 — CID 19271046

IUPACN-(5-chloro-2-hydroxyphenyl)-1-(phenoxymethyl)pyrazole-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1O)c1ccn(COc2ccccc2)n1
InChIInChI=1S/C17H14ClN3O3/c18-12-6-7-16(22)15(10-12)19-17(23)14-8-9-21(20-14)11-24-13-4-2-1-3-5-13/h1-10,22H,11H2,(H,19,23)
InChIKeyWZQDFTBOVPCIKN-UHFFFAOYSA-N
MW343.77 g/mol
LogP3.53
Rot. Bonds5

About N-(5-chloro-2-hydroxyphenyl)-1-(phenoxymethyl)pyrazole-3-carboxamide

N-(5-chloro-2-hydroxyphenyl)-1-(phenoxymethyl)pyrazole-3-carboxamide (PubChem CID 19271046) has the molecular formula C17H14ClN3O3 and a molecular weight of 343.77 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-1-(phenoxymethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-1-(phenoxymethyl)pyrazole-3-carboxamide
PubChem CID19271046
Molecular FormulaC17H14ClN3O3
Molecular Weight343.77 g/mol
Exact Mass343.07
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-1-(phenoxymethyl)pyrazole-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1O)c1ccn(COc2ccccc2)n1
InChIInChI=1S/C17H14ClN3O3/c18-12-6-7-16(22)15(10-12)19-17(23)14-8-9-21(20-14)11-24-13-4-2-1-3-5-13/h1-10,22H,11H2,(H,19,23)
InChIKeyWZQDFTBOVPCIKN-UHFFFAOYSA-N
XLogP3.53
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 53.53
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-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19269235
N-(5-chloro-2-hydroxyphenyl)-1-[(4-chloro-2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19277666
1-[(4-chlorophenoxy)methyl]-N-(2-hydroxy-5-nitrophenyl)pyrazole-3-carboxamide
CID 19280428
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-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19271176
1-(phenoxymethyl)-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 19581546
1-[(4-chlorophenoxy)methyl]-N-(4-chlorophenyl)pyrazole-3-carboxamide
CID 17021150
1-(phenoxymethyl)-N-pyridin-4-ylpyrazole-3-carboxamide
CID 19271051
N-(5-chloro-2-methylphenyl)-1-[(2,4-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19270117
N-(1-benzyl-4-chloropyrazol-3-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19271177

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-1-(phenoxymethyl)pyrazole-3-carboxamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-1-(phenoxymethyl)pyrazole-3-carboxamide (CID 19271046) is N-(5-chloro-2-hydroxyphenyl)-1-(phenoxymethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-1-(phenoxymethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-1-(phenoxymethyl)pyrazole-3-carboxamide is O=C(Nc1cc(Cl)ccc1O)c1ccn(COc2ccccc2)n1.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-1-(phenoxymethyl)pyrazole-3-carboxamide?
The InChIKey is WZQDFTBOVPCIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3/c18-12-6-7-16(22)15(10-12)19-17(23)14-8-9-21(20-14)11-24-13-4-2-1-3-5-13/h1-10,22H,11H2,(H,19,23).
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-1-(phenoxymethyl)pyrazole-3-carboxamide?
N-(5-chloro-2-hydroxyphenyl)-1-(phenoxymethyl)pyrazole-3-carboxamide has a molecular weight of 343.77 g/mol, XLogP of 3.53, 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-(phenoxymethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19271046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).