3-(2-methylpropyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole-1-carboxamide

C10H16N4O — CID 3993935

IUPAC3-(2-methylpropyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole-1-carboxamide
SMILESCC(C)Cc1nn(C(N)=O)c2c1CCN2
InChIInChI=1S/C10H16N4O/c1-6(2)5-8-7-3-4-12-9(7)14(13-8)10(11)15/h6,12H,3-5H2,1-2H3,(H2,11,15)
InChIKeyLREDQFXTLWCVPS-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.98
Rot. Bonds2

About 3-(2-methylpropyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole-1-carboxamide

3-(2-methylpropyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole-1-carboxamide (PubChem CID 3993935) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-(2-methylpropyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole-1-carboxamide.

Molecular Properties

Compound Name3-(2-methylpropyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole-1-carboxamide
PubChem CID3993935
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name3-(2-methylpropyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole-1-carboxamide
SMILESCC(C)Cc1nn(C(N)=O)c2c1CCN2
InChIInChI=1S/C10H16N4O/c1-6(2)5-8-7-3-4-12-9(7)14(13-8)10(11)15/h6,12H,3-5H2,1-2H3,(H2,11,15)
InChIKeyLREDQFXTLWCVPS-UHFFFAOYSA-N
XLogP0.98
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole-1-carboxamide?
The IUPAC name of 3-(2-methylpropyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole-1-carboxamide (CID 3993935) is 3-(2-methylpropyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole-1-carboxamide.
What is the SMILES notation for 3-(2-methylpropyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole-1-carboxamide?
The canonical SMILES for 3-(2-methylpropyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole-1-carboxamide is CC(C)Cc1nn(C(N)=O)c2c1CCN2.
What is the InChIKey of 3-(2-methylpropyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole-1-carboxamide?
The InChIKey is LREDQFXTLWCVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-6(2)5-8-7-3-4-12-9(7)14(13-8)10(11)15/h6,12H,3-5H2,1-2H3,(H2,11,15).
What are the key properties of 3-(2-methylpropyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole-1-carboxamide?
3-(2-methylpropyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole-1-carboxamide has a molecular weight of 208.26 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole-1-carboxamide is sourced from PubChem (CID 3993935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).