1-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-4-carboxamide

C18H14ClN3O3 — CID 50772918

IUPAC1-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cnn(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H14ClN3O3/c19-13-1-4-15(5-2-13)22-11-12(10-20-22)18(23)21-14-3-6-16-17(9-14)25-8-7-24-16/h1-6,9-11H,7-8H2,(H,21,23)
InChIKeyLPUNOPOVYBRVRT-UHFFFAOYSA-N
MW355.78 g/mol
LogP3.55
Rot. Bonds3

About 1-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-4-carboxamide

1-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-4-carboxamide (PubChem CID 50772918) has the molecular formula C18H14ClN3O3 and a molecular weight of 355.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-4-carboxamide
PubChem CID50772918
Molecular FormulaC18H14ClN3O3
Molecular Weight355.78 g/mol
Exact Mass355.07
IUPAC Name1-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cnn(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H14ClN3O3/c19-13-1-4-15(5-2-13)22-11-12(10-20-22)18(23)21-14-3-6-16-17(9-14)25-8-7-24-16/h1-6,9-11H,7-8H2,(H,21,23)
InChIKeyLPUNOPOVYBRVRT-UHFFFAOYSA-N
XLogP3.55
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.78
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-N-[4-(dimethylamino)-3-methylphenyl]pyrazole-4-carboxamide
CID 55774788
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethylpyrazole-4-carboxamide
CID 3249821
3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluorobenzamide
CID 110764768
1-(4-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 20931902
S-[4-[[1-(4-chlorophenyl)pyrazole-4-carbonyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56532930
1-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylpyrazole-3-carboxamide
CID 110372991
2-N,5-N-bis(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2,5-dicarboxamide
CID 2931160
5-[(4-chlorophenyl)methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxamide
CID 109234149
N-(3-chloro-4-fluorophenyl)-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxamide
CID 109163738
N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-(4-chlorophenyl)pyrazole-4-carboxamide
CID 55773493
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyrrol-1-ylbenzamide
CID 27649854
1-(4-chlorophenyl)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxamide
CID 55892350

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-4-carboxamide (CID 50772918) is 1-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-4-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1cnn(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-4-carboxamide?
The InChIKey is LPUNOPOVYBRVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O3/c19-13-1-4-15(5-2-13)22-11-12(10-20-22)18(23)21-14-3-6-16-17(9-14)25-8-7-24-16/h1-6,9-11H,7-8H2,(H,21,23).
What are the key properties of 1-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-4-carboxamide?
1-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-4-carboxamide has a molecular weight of 355.78 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 50772918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).