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

C18H15Cl2N3O3 — CID 19277666

IUPACN-(5-chloro-2-hydroxyphenyl)-1-[(4-chloro-2-methylphenoxy)methyl]pyrazole-3-carboxamide
SMILESCc1cc(Cl)ccc1OCn1ccc(C(=O)Nc2cc(Cl)ccc2O)n1
InChIInChI=1S/C18H15Cl2N3O3/c1-11-8-12(19)3-5-17(11)26-10-23-7-6-14(22-23)18(25)21-15-9-13(20)2-4-16(15)24/h2-9,24H,10H2,1H3,(H,21,25)
InChIKeyWQQFOJIRDZFCPR-UHFFFAOYSA-N
MW392.24 g/mol
LogP4.49
Rot. Bonds5

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

N-(5-chloro-2-hydroxyphenyl)-1-[(4-chloro-2-methylphenoxy)methyl]pyrazole-3-carboxamide (PubChem CID 19277666) has the molecular formula C18H15Cl2N3O3 and a molecular weight of 392.24 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-1-[(4-chloro-2-methylphenoxy)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-1-[(4-chloro-2-methylphenoxy)methyl]pyrazole-3-carboxamide
PubChem CID19277666
Molecular FormulaC18H15Cl2N3O3
Molecular Weight392.24 g/mol
Exact Mass391.05
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-1-[(4-chloro-2-methylphenoxy)methyl]pyrazole-3-carboxamide
SMILESCc1cc(Cl)ccc1OCn1ccc(C(=O)Nc2cc(Cl)ccc2O)n1
InChIInChI=1S/C18H15Cl2N3O3/c1-11-8-12(19)3-5-17(11)26-10-23-7-6-14(22-23)18(25)21-15-9-13(20)2-4-16(15)24/h2-9,24H,10H2,1H3,(H,21,25)
InChIKeyWQQFOJIRDZFCPR-UHFFFAOYSA-N
XLogP4.49
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.24
LogP ≤ 54.49
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

1-[(4-chloro-2-methylphenoxy)methyl]-N-(2-hydroxy-5-nitrophenyl)pyrazole-3-carboxamide
CID 19277942
N-(5-chloro-2-hydroxyphenyl)-1-[(2-chloro-5-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19275548
1-[(4-chloro-2-methylphenoxy)methyl]-N-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 19277689
N-(5-chloro-2-methylphenyl)-1-[(2,4-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19270117
N-(5-chloro-2-hydroxyphenyl)-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19271046
N-[4-[[1-[(4-chloro-2-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19277888
N-(5-chloro-2-hydroxyphenyl)-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19269235
1-[(4-chloro-2-methylphenoxy)methyl]-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19277716
4-[[1-[(4-chloro-2-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxamide
CID 19277803
N-(5-chloro-2-hydroxyphenyl)-1-ethylpyrazole-3-carboxamide
CID 19262175
N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-[(4-chloro-2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19277832
4-[[1-[(4-chloro-2-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide
CID 19277920

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-1-[(4-chloro-2-methylphenoxy)methyl]pyrazole-3-carboxamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-1-[(4-chloro-2-methylphenoxy)methyl]pyrazole-3-carboxamide (CID 19277666) is N-(5-chloro-2-hydroxyphenyl)-1-[(4-chloro-2-methylphenoxy)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-1-[(4-chloro-2-methylphenoxy)methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-1-[(4-chloro-2-methylphenoxy)methyl]pyrazole-3-carboxamide is Cc1cc(Cl)ccc1OCn1ccc(C(=O)Nc2cc(Cl)ccc2O)n1.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-1-[(4-chloro-2-methylphenoxy)methyl]pyrazole-3-carboxamide?
The InChIKey is WQQFOJIRDZFCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O3/c1-11-8-12(19)3-5-17(11)26-10-23-7-6-14(22-23)18(25)21-15-9-13(20)2-4-16(15)24/h2-9,24H,10H2,1H3,(H,21,25).
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-1-[(4-chloro-2-methylphenoxy)methyl]pyrazole-3-carboxamide?
N-(5-chloro-2-hydroxyphenyl)-1-[(4-chloro-2-methylphenoxy)methyl]pyrazole-3-carboxamide has a molecular weight of 392.24 g/mol, XLogP of 4.49, 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-chloro-2-methylphenoxy)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19277666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).