N-(6-amino-1,3-benzodioxol-5-yl)-3-ethyl-1-methylpyrazole-5-carboxamide

C14H16N4O3 — CID 66122267

IUPACN-(6-amino-1,3-benzodioxol-5-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)Nc2cc3c(cc2N)OCO3)n(C)n1
InChIInChI=1S/C14H16N4O3/c1-3-8-4-11(18(2)17-8)14(19)16-10-6-13-12(5-9(10)15)20-7-21-13/h4-6H,3,7,15H2,1-2H3,(H,16,19)
InChIKeyOGWMPCDNCGETLE-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.55
Rot. Bonds3

About N-(6-amino-1,3-benzodioxol-5-yl)-3-ethyl-1-methylpyrazole-5-carboxamide

N-(6-amino-1,3-benzodioxol-5-yl)-3-ethyl-1-methylpyrazole-5-carboxamide (PubChem CID 66122267) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-(6-amino-1,3-benzodioxol-5-yl)-3-ethyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1,3-benzodioxol-5-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
PubChem CID66122267
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC NameN-(6-amino-1,3-benzodioxol-5-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)Nc2cc3c(cc2N)OCO3)n(C)n1
InChIInChI=1S/C14H16N4O3/c1-3-8-4-11(18(2)17-8)14(19)16-10-6-13-12(5-9(10)15)20-7-21-13/h4-6H,3,7,15H2,1-2H3,(H,16,19)
InChIKeyOGWMPCDNCGETLE-UHFFFAOYSA-N
XLogP1.55
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-5-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 112557417
N-(2-amino-4-chlorophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119916
N-(2-aminophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119915
3-amino-4-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]benzoic acid
CID 66121495
N-(2-amino-4-methoxyphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119722
N-(5-amino-2-bromo-4-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 104814558
N-(4-amino-2-chlorophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120705
3-(6-amino-1,3-benzodioxol-5-yl)-1-ethyl-1-methylurea
CID 79160086
5-amino-2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]benzoic acid
CID 66121300
N-(6-amino-1,3-benzodioxol-5-yl)-5-methylthiophene-2-carboxamide
CID 43548279
[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]urea
CID 66120179
N-(6-amino-1,3-benzodioxol-5-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 81483575

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,3-benzodioxol-5-yl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-(6-amino-1,3-benzodioxol-5-yl)-3-ethyl-1-methylpyrazole-5-carboxamide (CID 66122267) is N-(6-amino-1,3-benzodioxol-5-yl)-3-ethyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-(6-amino-1,3-benzodioxol-5-yl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-(6-amino-1,3-benzodioxol-5-yl)-3-ethyl-1-methylpyrazole-5-carboxamide is CCc1cc(C(=O)Nc2cc3c(cc2N)OCO3)n(C)n1.
What is the InChIKey of N-(6-amino-1,3-benzodioxol-5-yl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The InChIKey is OGWMPCDNCGETLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-3-8-4-11(18(2)17-8)14(19)16-10-6-13-12(5-9(10)15)20-7-21-13/h4-6H,3,7,15H2,1-2H3,(H,16,19).
What are the key properties of N-(6-amino-1,3-benzodioxol-5-yl)-3-ethyl-1-methylpyrazole-5-carboxamide?
N-(6-amino-1,3-benzodioxol-5-yl)-3-ethyl-1-methylpyrazole-5-carboxamide has a molecular weight of 288.31 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,3-benzodioxol-5-yl)-3-ethyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 66122267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).