1-[(2,3-dichlorophenoxy)methyl]-N-phenylpyrazole-3-carboxamide

C17H13Cl2N3O2 — CID 19269594

IUPAC1-[(2,3-dichlorophenoxy)methyl]-N-phenylpyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1)c1ccn(COc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C17H13Cl2N3O2/c18-13-7-4-8-15(16(13)19)24-11-22-10-9-14(21-22)17(23)20-12-5-2-1-3-6-12/h1-10H,11H2,(H,20,23)
InChIKeyHAKUNNNTLRMQRH-UHFFFAOYSA-N
MW362.22 g/mol
LogP4.48
Rot. Bonds5

About 1-[(2,3-dichlorophenoxy)methyl]-N-phenylpyrazole-3-carboxamide

1-[(2,3-dichlorophenoxy)methyl]-N-phenylpyrazole-3-carboxamide (PubChem CID 19269594) has the molecular formula C17H13Cl2N3O2 and a molecular weight of 362.22 g/mol. Its IUPAC name is 1-[(2,3-dichlorophenoxy)methyl]-N-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(2,3-dichlorophenoxy)methyl]-N-phenylpyrazole-3-carboxamide
PubChem CID19269594
Molecular FormulaC17H13Cl2N3O2
Molecular Weight362.22 g/mol
Exact Mass361.04
IUPAC Name1-[(2,3-dichlorophenoxy)methyl]-N-phenylpyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1)c1ccn(COc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C17H13Cl2N3O2/c18-13-7-4-8-15(16(13)19)24-11-22-10-9-14(21-22)17(23)20-12-5-2-1-3-6-12/h1-10H,11H2,(H,20,23)
InChIKeyHAKUNNNTLRMQRH-UHFFFAOYSA-N
XLogP4.48
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-pyridinyl)-1-[(2,3-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 4774786
1-[(2,6-dichlorophenoxy)methyl]-N-(4-phenylphenyl)pyrazole-3-carboxamide
CID 19269906
N-(1-benzyl-5-methylpyrazol-3-yl)-1-[(2,3-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19334987
1-[(2,3-dichlorophenoxy)methyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyrazole-3-carboxamide
CID 19269519
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
N-(4-acetamidophenyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19277353
N-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1-[(2,3-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19269642
1-[(2,3-dichlorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]pyrazole-3-carboxamide
CID 19269696
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-1-[(2,3-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19322885
1-[(2,3-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19269522
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-[(2,3-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19296854

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dichlorophenoxy)methyl]-N-phenylpyrazole-3-carboxamide?
The IUPAC name of 1-[(2,3-dichlorophenoxy)methyl]-N-phenylpyrazole-3-carboxamide (CID 19269594) is 1-[(2,3-dichlorophenoxy)methyl]-N-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[(2,3-dichlorophenoxy)methyl]-N-phenylpyrazole-3-carboxamide?
The canonical SMILES for 1-[(2,3-dichlorophenoxy)methyl]-N-phenylpyrazole-3-carboxamide is O=C(Nc1ccccc1)c1ccn(COc2cccc(Cl)c2Cl)n1.
What is the InChIKey of 1-[(2,3-dichlorophenoxy)methyl]-N-phenylpyrazole-3-carboxamide?
The InChIKey is HAKUNNNTLRMQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O2/c18-13-7-4-8-15(16(13)19)24-11-22-10-9-14(21-22)17(23)20-12-5-2-1-3-6-12/h1-10H,11H2,(H,20,23).
What are the key properties of 1-[(2,3-dichlorophenoxy)methyl]-N-phenylpyrazole-3-carboxamide?
1-[(2,3-dichlorophenoxy)methyl]-N-phenylpyrazole-3-carboxamide has a molecular weight of 362.22 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dichlorophenoxy)methyl]-N-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 19269594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).