1-[(2-chlorophenoxy)methyl]-N-(7-methoxyquinolin-3-yl)pyrazole-3-carboxamide

C21H17ClN4O3 — CID 95744926

IUPAC1-[(2-chlorophenoxy)methyl]-N-(7-methoxyquinolin-3-yl)pyrazole-3-carboxamide
SMILESCOc1ccc2cc(NC(=O)c3ccn(COc4ccccc4Cl)n3)cnc2c1
InChIInChI=1S/C21H17ClN4O3/c1-28-16-7-6-14-10-15(12-23-19(14)11-16)24-21(27)18-8-9-26(25-18)13-29-20-5-3-2-4-17(20)22/h2-12H,13H2,1H3,(H,24,27)
InChIKeyTWEVGCIFHWOJCE-UHFFFAOYSA-N
MW408.85 g/mol
LogP4.38
Rot. Bonds6

About 1-[(2-chlorophenoxy)methyl]-N-(7-methoxyquinolin-3-yl)pyrazole-3-carboxamide

1-[(2-chlorophenoxy)methyl]-N-(7-methoxyquinolin-3-yl)pyrazole-3-carboxamide (PubChem CID 95744926) has the molecular formula C21H17ClN4O3 and a molecular weight of 408.85 g/mol. Its IUPAC name is 1-[(2-chlorophenoxy)methyl]-N-(7-methoxyquinolin-3-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenoxy)methyl]-N-(7-methoxyquinolin-3-yl)pyrazole-3-carboxamide
PubChem CID95744926
Molecular FormulaC21H17ClN4O3
Molecular Weight408.85 g/mol
Exact Mass408.10
IUPAC Name1-[(2-chlorophenoxy)methyl]-N-(7-methoxyquinolin-3-yl)pyrazole-3-carboxamide
SMILESCOc1ccc2cc(NC(=O)c3ccn(COc4ccccc4Cl)n3)cnc2c1
InChIInChI=1S/C21H17ClN4O3/c1-28-16-7-6-14-10-15(12-23-19(14)11-16)24-21(27)18-8-9-26(25-18)13-29-20-5-3-2-4-17(20)22/h2-12H,13H2,1H3,(H,24,27)
InChIKeyTWEVGCIFHWOJCE-UHFFFAOYSA-N
XLogP4.38
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.85
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4-fluorophenoxy)methyl]-N-(7-methoxyquinolin-3-yl)pyrazole-3-carboxamide
CID 95744924
N-(7-methoxyquinolin-3-yl)-1-methylpyrazole-3-carboxamide
CID 95744911
1-[(2-chlorophenoxy)methyl]-N-(4-methyl-3,5-dinitrophenyl)pyrazole-3-carboxamide
CID 19265259
1-[(2-chlorophenoxy)methyl]-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19265323
1-[(2-chlorophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyrazole-3-carboxamide
CID 19265220
1-[(2-chloro-4-nitrophenoxy)methyl]-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]pyrazole-3-carboxamide
CID 19276826
1-[(2-chlorophenoxy)methyl]-N-(4-methyl-2-pyridinyl)pyrazole-3-carboxamide
CID 19581793
1-[(2-chlorophenoxy)methyl]-N-(2,5-dimethylphenyl)pyrazole-3-carboxamide
CID 19265181
1-[(2,3-dichlorophenoxy)methyl]-N-phenylpyrazole-3-carboxamide
CID 19269594
1-[(2-chlorophenoxy)methyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyrazole-3-carboxamide
CID 19265088
1-[(2-chlorophenoxy)methyl]-N-(2-fluorophenyl)pyrazole-3-carboxamide
CID 4774958
N-(3-methoxy-5-nitrophenyl)-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19271102

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenoxy)methyl]-N-(7-methoxyquinolin-3-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-[(2-chlorophenoxy)methyl]-N-(7-methoxyquinolin-3-yl)pyrazole-3-carboxamide (CID 95744926) is 1-[(2-chlorophenoxy)methyl]-N-(7-methoxyquinolin-3-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenoxy)methyl]-N-(7-methoxyquinolin-3-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[(2-chlorophenoxy)methyl]-N-(7-methoxyquinolin-3-yl)pyrazole-3-carboxamide is COc1ccc2cc(NC(=O)c3ccn(COc4ccccc4Cl)n3)cnc2c1.
What is the InChIKey of 1-[(2-chlorophenoxy)methyl]-N-(7-methoxyquinolin-3-yl)pyrazole-3-carboxamide?
The InChIKey is TWEVGCIFHWOJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O3/c1-28-16-7-6-14-10-15(12-23-19(14)11-16)24-21(27)18-8-9-26(25-18)13-29-20-5-3-2-4-17(20)22/h2-12H,13H2,1H3,(H,24,27).
What are the key properties of 1-[(2-chlorophenoxy)methyl]-N-(7-methoxyquinolin-3-yl)pyrazole-3-carboxamide?
1-[(2-chlorophenoxy)methyl]-N-(7-methoxyquinolin-3-yl)pyrazole-3-carboxamide has a molecular weight of 408.85 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenoxy)methyl]-N-(7-methoxyquinolin-3-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 95744926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).