N-[5-(2-methylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide

C17H18N4O4 — CID 23645986

IUPACN-[5-(2-methylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
SMILESCC(C)C(=O)N1Cc2[nH]nc(NC(=O)c3ccc4c(c3)OCO4)c2C1
InChIInChI=1S/C17H18N4O4/c1-9(2)17(23)21-6-11-12(7-21)19-20-15(11)18-16(22)10-3-4-13-14(5-10)25-8-24-13/h3-5,9H,6-8H2,1-2H3,(H2,18,19,20,22)
InChIKeyCWIFGWDXAMILHS-UHFFFAOYSA-N
MW342.36 g/mol
LogP1.89
Rot. Bonds3

About N-[5-(2-methylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide

N-[5-(2-methylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide (PubChem CID 23645986) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is N-[5-(2-methylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[5-(2-methylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
PubChem CID23645986
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC NameN-[5-(2-methylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
SMILESCC(C)C(=O)N1Cc2[nH]nc(NC(=O)c3ccc4c(c3)OCO4)c2C1
InChIInChI=1S/C17H18N4O4/c1-9(2)17(23)21-6-11-12(7-21)19-20-15(11)18-16(22)10-3-4-13-14(5-10)25-8-24-13/h3-5,9H,6-8H2,1-2H3,(H2,18,19,20,22)
InChIKeyCWIFGWDXAMILHS-UHFFFAOYSA-N
XLogP1.89
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[5-(2-methylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide (CID 23645986) is N-[5-(2-methylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[5-(2-methylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[5-(2-methylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide is CC(C)C(=O)N1Cc2[nH]nc(NC(=O)c3ccc4c(c3)OCO4)c2C1.
What is the InChIKey of N-[5-(2-methylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is CWIFGWDXAMILHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c1-9(2)17(23)21-6-11-12(7-21)19-20-15(11)18-16(22)10-3-4-13-14(5-10)25-8-24-13/h3-5,9H,6-8H2,1-2H3,(H2,18,19,20,22).
What are the key properties of N-[5-(2-methylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide?
N-[5-(2-methylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 342.36 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 23645986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).