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

C13H14N4O3 — CID 65356994

IUPAC4-amino-N-(1,3-benzodioxol-5-yl)-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C13H14N4O3/c1-2-17-12(9(14)6-15-17)13(18)16-8-3-4-10-11(5-8)20-7-19-10/h3-6H,2,7,14H2,1H3,(H,16,18)
InChIKeyPQIKEADHUCGAIS-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.47
Rot. Bonds3

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

4-amino-N-(1,3-benzodioxol-5-yl)-1-ethylpyrazole-5-carboxamide (PubChem CID 65356994) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 4-amino-N-(1,3-benzodioxol-5-yl)-1-ethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1,3-benzodioxol-5-yl)-1-ethylpyrazole-5-carboxamide
PubChem CID65356994
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name4-amino-N-(1,3-benzodioxol-5-yl)-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C13H14N4O3/c1-2-17-12(9(14)6-15-17)13(18)16-8-3-4-10-11(5-8)20-7-19-10/h3-6H,2,7,14H2,1H3,(H,16,18)
InChIKeyPQIKEADHUCGAIS-UHFFFAOYSA-N
XLogP1.47
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(4-bromo-3-chlorophenyl)-1-ethylpyrazole-5-carboxamide
CID 107618381
4-amino-N-(4-cyanophenyl)-1-ethylpyrazole-5-carboxamide
CID 65357180
N-(1,3-benzodioxol-5-yl)-4-bromo-1-methylpyrazole-5-carboxamide
CID 19579445
4-amino-N-(2,6-diethylphenyl)-1-ethylpyrazole-5-carboxamide
CID 65357426
4-amino-N-(1,3-benzodioxol-5-yl)pyridine-3-carboxamide
CID 81235040
N-(1,3-benzodioxol-5-yl)-2-methylpyrazole-3-carboxamide
CID 6470985
(2S)-2-amino-N-(1,3-benzodioxol-5-yl)butanamide
CID 79025249
2-amino-N-(1,3-benzodioxol-5-yl)-5-methylbenzamide
CID 62059841
N-(1,3-benzodioxol-5-yl)-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3237410
methyl 3-[(4-amino-1-ethylpyrazole-5-carbonyl)amino]thiophene-2-carboxylate
CID 65357576
N-[3-(1,3-benzodioxole-5-carbonylamino)phenyl]-2-ethylpyrazole-3-carboxamide
CID 4776537
2-(6-aminoindazol-1-yl)-N-(1,3-benzodioxol-5-yl)acetamide
CID 22693487

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,3-benzodioxol-5-yl)-1-ethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(1,3-benzodioxol-5-yl)-1-ethylpyrazole-5-carboxamide (CID 65356994) is 4-amino-N-(1,3-benzodioxol-5-yl)-1-ethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(1,3-benzodioxol-5-yl)-1-ethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(1,3-benzodioxol-5-yl)-1-ethylpyrazole-5-carboxamide is CCn1ncc(N)c1C(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of 4-amino-N-(1,3-benzodioxol-5-yl)-1-ethylpyrazole-5-carboxamide?
The InChIKey is PQIKEADHUCGAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-2-17-12(9(14)6-15-17)13(18)16-8-3-4-10-11(5-8)20-7-19-10/h3-6H,2,7,14H2,1H3,(H,16,18).
What are the key properties of 4-amino-N-(1,3-benzodioxol-5-yl)-1-ethylpyrazole-5-carboxamide?
4-amino-N-(1,3-benzodioxol-5-yl)-1-ethylpyrazole-5-carboxamide has a molecular weight of 274.28 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1,3-benzodioxol-5-yl)-1-ethylpyrazole-5-carboxamide is sourced from PubChem (CID 65356994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).