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

C14H15N3O3 — CID 17439489

IUPACN-(1,3-benzodioxol-5-yl)-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C14H15N3O3/c1-8-13(9(2)17(3)16-8)14(18)15-10-4-5-11-12(6-10)20-7-19-11/h4-6H,7H2,1-3H3,(H,15,18)
InChIKeyBOJXJWWVFSFGMG-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.02
Rot. Bonds2

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

N-(1,3-benzodioxol-5-yl)-1,3,5-trimethylpyrazole-4-carboxamide (PubChem CID 17439489) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-1,3,5-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-1,3,5-trimethylpyrazole-4-carboxamide
PubChem CID17439489
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-(1,3-benzodioxol-5-yl)-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C14H15N3O3/c1-8-13(9(2)17(3)16-8)14(18)15-10-4-5-11-12(6-10)20-7-19-11/h4-6H,7H2,1-3H3,(H,15,18)
InChIKeyBOJXJWWVFSFGMG-UHFFFAOYSA-N
XLogP2.02
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-1-benzyl-3,5-dimethylpyrazole-4-carboxamide
CID 9036918
N-(1,3-benzodioxol-5-yl)-5-chloro-3-methyl-1-phenylpyrazole-4-carboxamide
CID 2540316
3-(1,3-benzodioxol-5-ylcarbamoyl)-1-methylpyrazole-5-carboxylic acid
CID 4155928
N-(1,3-benzodioxol-5-yl)-2,4,6-trimethylbenzamide
CID 112759099
N-(1,3-benzodioxol-5-yl)-2-methylpyrazole-3-carboxamide
CID 6470985
N-(3,4-dimethoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 36763541
1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide
CID 19281566
N-(1,3-benzodioxol-5-yl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 32686520
N-(1,3-benzodioxol-5-yl)-3-methylimidazole-4-carboxamide
CID 110863230
1,3,5-trimethyl-N-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide
CID 32607033
2-fluoro-4-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]benzoic acid
CID 103791455
N-(1,3-benzodioxol-5-yl)-4-bromo-1-methylpyrazole-5-carboxamide
CID 19579445

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-1,3,5-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-1,3,5-trimethylpyrazole-4-carboxamide (CID 17439489) is N-(1,3-benzodioxol-5-yl)-1,3,5-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-1,3,5-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-1,3,5-trimethylpyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-1,3,5-trimethylpyrazole-4-carboxamide?
The InChIKey is BOJXJWWVFSFGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-8-13(9(2)17(3)16-8)14(18)15-10-4-5-11-12(6-10)20-7-19-11/h4-6H,7H2,1-3H3,(H,15,18).
What are the key properties of N-(1,3-benzodioxol-5-yl)-1,3,5-trimethylpyrazole-4-carboxamide?
N-(1,3-benzodioxol-5-yl)-1,3,5-trimethylpyrazole-4-carboxamide has a molecular weight of 273.29 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-1,3,5-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 17439489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).