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

C20H19N3O4 — CID 110336556

IUPACN-(1,3-benzodioxol-5-yl)-5-(4-methoxy-3-methylphenyl)-1-methylpyrazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)OCO4)nn2C)cc1C
InChIInChI=1S/C20H19N3O4/c1-12-8-13(4-6-17(12)25-3)16-10-15(22-23(16)2)20(24)21-14-5-7-18-19(9-14)27-11-26-18/h4-10H,11H2,1-3H3,(H,21,24)
InChIKeyUBQOGYKUCPGMQE-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.39
Rot. Bonds4

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

N-(1,3-benzodioxol-5-yl)-5-(4-methoxy-3-methylphenyl)-1-methylpyrazole-3-carboxamide (PubChem CID 110336556) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-5-(4-methoxy-3-methylphenyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-5-(4-methoxy-3-methylphenyl)-1-methylpyrazole-3-carboxamide
PubChem CID110336556
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC NameN-(1,3-benzodioxol-5-yl)-5-(4-methoxy-3-methylphenyl)-1-methylpyrazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)OCO4)nn2C)cc1C
InChIInChI=1S/C20H19N3O4/c1-12-8-13(4-6-17(12)25-3)16-10-15(22-23(16)2)20(24)21-14-5-7-18-19(9-14)27-11-26-18/h4-10H,11H2,1-3H3,(H,21,24)
InChIKeyUBQOGYKUCPGMQE-UHFFFAOYSA-N
XLogP3.39
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336333
5-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336889
5-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxamide
CID 110336892
N-(3,4-dimethoxyphenyl)-5-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 110299497
5-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)-1-methylpyrazole-3-carboxamide
CID 110336883
3-(1,3-benzodioxol-5-ylcarbamoyl)-1-methylpyrazole-5-carboxylic acid
CID 4155928
5-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)-1-methylpyrazole-3-carboxamide
CID 110336840
N-(1,3-benzodioxol-5-yl)-2-methoxy-5-phenylbenzamide
CID 110426304
N-(1,3-benzodioxol-5-yl)-3,5-dimethoxy-4-methylbenzamide
CID 2640874
5-(1,3-benzodioxol-5-yl)-N-[(4-chlorophenyl)methyl]-1-methylpyrazole-3-carboxamide
CID 110336837
5-(4-methoxyphenyl)-1-methyl-N-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxamide
CID 110336337
N-(1,3-benzodioxol-5-yl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 17439489

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-5-(4-methoxy-3-methylphenyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-5-(4-methoxy-3-methylphenyl)-1-methylpyrazole-3-carboxamide (CID 110336556) is N-(1,3-benzodioxol-5-yl)-5-(4-methoxy-3-methylphenyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5-(4-methoxy-3-methylphenyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5-(4-methoxy-3-methylphenyl)-1-methylpyrazole-3-carboxamide is COc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)OCO4)nn2C)cc1C.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5-(4-methoxy-3-methylphenyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is UBQOGYKUCPGMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-12-8-13(4-6-17(12)25-3)16-10-15(22-23(16)2)20(24)21-14-5-7-18-19(9-14)27-11-26-18/h4-10H,11H2,1-3H3,(H,21,24).
What are the key properties of N-(1,3-benzodioxol-5-yl)-5-(4-methoxy-3-methylphenyl)-1-methylpyrazole-3-carboxamide?
N-(1,3-benzodioxol-5-yl)-5-(4-methoxy-3-methylphenyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 3.39, 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-methoxy-3-methylphenyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 110336556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).