5-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)-1-methylpyrazole-3-carboxamide

C18H14ClN3O3 — CID 110336883

IUPAC5-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2cccc(Cl)c2)cc1-c1ccc2c(c1)OCO2
InChIInChI=1S/C18H14ClN3O3/c1-22-15(11-5-6-16-17(7-11)25-10-24-16)9-14(21-22)18(23)20-13-4-2-3-12(19)8-13/h2-9H,10H2,1H3,(H,20,23)
InChIKeyDLAPJEFRIMAPPZ-UHFFFAOYSA-N
MW355.78 g/mol
LogP3.72
Rot. Bonds3

About 5-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)-1-methylpyrazole-3-carboxamide

5-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)-1-methylpyrazole-3-carboxamide (PubChem CID 110336883) has the molecular formula C18H14ClN3O3 and a molecular weight of 355.78 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)-1-methylpyrazole-3-carboxamide
PubChem CID110336883
Molecular FormulaC18H14ClN3O3
Molecular Weight355.78 g/mol
Exact Mass355.07
IUPAC Name5-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2cccc(Cl)c2)cc1-c1ccc2c(c1)OCO2
InChIInChI=1S/C18H14ClN3O3/c1-22-15(11-5-6-16-17(7-11)25-10-24-16)9-14(21-22)18(23)20-13-4-2-3-12(19)8-13/h2-9H,10H2,1H3,(H,20,23)
InChIKeyDLAPJEFRIMAPPZ-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-5-(3,4-difluorophenyl)-1-methylpyrazole-3-carboxamide
CID 42879099
5-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336889
5-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 15988828
N-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336333
5-(1,3-benzodioxol-5-yl)-N-[(4-chlorophenyl)methyl]-1-methylpyrazole-3-carboxamide
CID 110336837
N-(1,3-benzodioxol-5-yl)-5-(4-methoxy-3-methylphenyl)-1-methylpyrazole-3-carboxamide
CID 110336556
5-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)-1-methylpyrazole-3-carboxamide
CID 110336840
5-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxamide
CID 110336892
3-(1,3-benzodioxol-5-ylcarbamoyl)-1-methylpyrazole-5-carboxylic acid
CID 4155928
5-N-(1,3-benzodioxol-5-yl)-3-N-(3-chlorophenyl)pyridine-3,5-dicarboxamide
CID 109108795
4-N-(1,3-benzodioxol-5-yl)-2-N-(3-chlorophenyl)pyridine-2,4-dicarboxamide
CID 109092846
N-[3-(3-chlorophenyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 141145423

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)-1-methylpyrazole-3-carboxamide (CID 110336883) is 5-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)-1-methylpyrazole-3-carboxamide is Cn1nc(C(=O)Nc2cccc(Cl)c2)cc1-c1ccc2c(c1)OCO2.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is DLAPJEFRIMAPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O3/c1-22-15(11-5-6-16-17(7-11)25-10-24-16)9-14(21-22)18(23)20-13-4-2-3-12(19)8-13/h2-9H,10H2,1H3,(H,20,23).
What are the key properties of 5-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)-1-methylpyrazole-3-carboxamide?
5-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 355.78 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 110336883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).