N-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide

C19H17N3O4 — CID 110336333

IUPACN-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)OCO4)nn2C)cc1
InChIInChI=1S/C19H17N3O4/c1-22-16(12-3-6-14(24-2)7-4-12)10-15(21-22)19(23)20-13-5-8-17-18(9-13)26-11-25-17/h3-10H,11H2,1-2H3,(H,20,23)
InChIKeyBFFOYSONRMOROU-UHFFFAOYSA-N
MW351.36 g/mol
LogP3.08
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide

N-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide (PubChem CID 110336333) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide
PubChem CID110336333
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC NameN-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)OCO4)nn2C)cc1
InChIInChI=1S/C19H17N3O4/c1-22-16(12-3-6-14(24-2)7-4-12)10-15(21-22)19(23)20-13-5-8-17-18(9-13)26-11-25-17/h3-10H,11H2,1-2H3,(H,20,23)
InChIKeyBFFOYSONRMOROU-UHFFFAOYSA-N
XLogP3.08
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336889
N-(1,3-benzodioxol-5-yl)-5-(4-methoxy-3-methylphenyl)-1-methylpyrazole-3-carboxamide
CID 110336556
5-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)-1-methylpyrazole-3-carboxamide
CID 110336883
5-(4-methoxyphenyl)-1-methyl-N-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxamide
CID 110336337
3-(1,3-benzodioxol-5-ylcarbamoyl)-1-methylpyrazole-5-carboxylic acid
CID 4155928
N-(1,3-benzodioxol-5-yl)-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109199937
5-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxamide
CID 110336892
N-(1,3-benzodioxol-5-yl)-6-methoxyquinoline-2-carboxamide
CID 33313694
N-(1,3-benzodioxol-5-yl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3604841
N-tert-butyl-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336303
N-(1,3-benzodioxol-5-yl)-2-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]sulfanylacetamide
CID 18569195
5-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)-1-methylpyrazole-3-carboxamide
CID 110336840

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide (CID 110336333) is N-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide is COc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)OCO4)nn2C)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is BFFOYSONRMOROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-22-16(12-3-6-14(24-2)7-4-12)10-15(21-22)19(23)20-13-5-8-17-18(9-13)26-11-25-17/h3-10H,11H2,1-2H3,(H,20,23).
What are the key properties of N-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide?
N-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 351.36 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 110336333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).