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

C17H19N5O4 — CID 23645987

IUPAC3-(1,3-benzodioxole-5-carbonylamino)-N-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide
SMILESCC(C)NC(=O)N1Cc2[nH]nc(NC(=O)c3ccc4c(c3)OCO4)c2C1
InChIInChI=1S/C17H19N5O4/c1-9(2)18-17(24)22-6-11-12(7-22)20-21-15(11)19-16(23)10-3-4-13-14(5-10)26-8-25-13/h3-5,9H,6-8H2,1-2H3,(H,18,24)(H2,19,20,21,23)
InChIKeyIQQAPAMUKYXXIQ-UHFFFAOYSA-N
MW357.37 g/mol
LogP1.82
Rot. Bonds3

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

3-(1,3-benzodioxole-5-carbonylamino)-N-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide (PubChem CID 23645987) has the molecular formula C17H19N5O4 and a molecular weight of 357.37 g/mol. Its IUPAC name is 3-(1,3-benzodioxole-5-carbonylamino)-N-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(1,3-benzodioxole-5-carbonylamino)-N-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide
PubChem CID23645987
Molecular FormulaC17H19N5O4
Molecular Weight357.37 g/mol
Exact Mass357.14
IUPAC Name3-(1,3-benzodioxole-5-carbonylamino)-N-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide
SMILESCC(C)NC(=O)N1Cc2[nH]nc(NC(=O)c3ccc4c(c3)OCO4)c2C1
InChIInChI=1S/C17H19N5O4/c1-9(2)18-17(24)22-6-11-12(7-22)20-21-15(11)19-16(23)10-3-4-13-14(5-10)26-8-25-13/h3-5,9H,6-8H2,1-2H3,(H,18,24)(H2,19,20,21,23)
InChIKeyIQQAPAMUKYXXIQ-UHFFFAOYSA-N
XLogP1.82
TPSA108.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxole-5-carbonylamino)-N-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide?
The IUPAC name of 3-(1,3-benzodioxole-5-carbonylamino)-N-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide (CID 23645987) is 3-(1,3-benzodioxole-5-carbonylamino)-N-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(1,3-benzodioxole-5-carbonylamino)-N-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide?
The canonical SMILES for 3-(1,3-benzodioxole-5-carbonylamino)-N-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide is CC(C)NC(=O)N1Cc2[nH]nc(NC(=O)c3ccc4c(c3)OCO4)c2C1.
What is the InChIKey of 3-(1,3-benzodioxole-5-carbonylamino)-N-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide?
The InChIKey is IQQAPAMUKYXXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O4/c1-9(2)18-17(24)22-6-11-12(7-22)20-21-15(11)19-16(23)10-3-4-13-14(5-10)26-8-25-13/h3-5,9H,6-8H2,1-2H3,(H,18,24)(H2,19,20,21,23).
What are the key properties of 3-(1,3-benzodioxole-5-carbonylamino)-N-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide?
3-(1,3-benzodioxole-5-carbonylamino)-N-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide has a molecular weight of 357.37 g/mol, XLogP of 1.82, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxole-5-carbonylamino)-N-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide is sourced from PubChem (CID 23645987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).