8-amino-1-(1,3-benzodioxol-5-yl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide

C18H14N4O4 — CID 10154873

IUPAC8-amino-1-(1,3-benzodioxol-5-yl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc3c(c2)OCO3)c2c1COc1ccc(N)cc1-2
InChIInChI=1S/C18H14N4O4/c19-9-1-3-13-11(5-9)17-12(7-24-13)16(18(20)23)21-22(17)10-2-4-14-15(6-10)26-8-25-14/h1-6H,7-8,19H2,(H2,20,23)
InChIKeyLLYWMJHLKFZXBG-UHFFFAOYSA-N
MW350.33 g/mol
LogP1.84
Rot. Bonds2

About 8-amino-1-(1,3-benzodioxol-5-yl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide

8-amino-1-(1,3-benzodioxol-5-yl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide (PubChem CID 10154873) has the molecular formula C18H14N4O4 and a molecular weight of 350.33 g/mol. Its IUPAC name is 8-amino-1-(1,3-benzodioxol-5-yl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name8-amino-1-(1,3-benzodioxol-5-yl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide
PubChem CID10154873
Molecular FormulaC18H14N4O4
Molecular Weight350.33 g/mol
Exact Mass350.10
IUPAC Name8-amino-1-(1,3-benzodioxol-5-yl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc3c(c2)OCO3)c2c1COc1ccc(N)cc1-2
InChIInChI=1S/C18H14N4O4/c19-9-1-3-13-11(5-9)17-12(7-24-13)16(18(20)23)21-22(17)10-2-4-14-15(6-10)26-8-25-14/h1-6H,7-8,19H2,(H2,20,23)
InChIKeyLLYWMJHLKFZXBG-UHFFFAOYSA-N
XLogP1.84
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-amino-1-(1,3-benzodioxol-5-yl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of 8-amino-1-(1,3-benzodioxol-5-yl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide (CID 10154873) is 8-amino-1-(1,3-benzodioxol-5-yl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for 8-amino-1-(1,3-benzodioxol-5-yl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for 8-amino-1-(1,3-benzodioxol-5-yl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide is NC(=O)c1nn(-c2ccc3c(c2)OCO3)c2c1COc1ccc(N)cc1-2.
What is the InChIKey of 8-amino-1-(1,3-benzodioxol-5-yl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The InChIKey is LLYWMJHLKFZXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O4/c19-9-1-3-13-11(5-9)17-12(7-24-13)16(18(20)23)21-22(17)10-2-4-14-15(6-10)26-8-25-14/h1-6H,7-8,19H2,(H2,20,23).
What are the key properties of 8-amino-1-(1,3-benzodioxol-5-yl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
8-amino-1-(1,3-benzodioxol-5-yl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide has a molecular weight of 350.33 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-1-(1,3-benzodioxol-5-yl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 10154873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).