3-amino-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxamide

C7H10N4O — CID 11228995

IUPAC3-amino-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxamide
SMILESNC(=O)c1nn2c(c1N)CCC2
InChIInChI=1S/C7H10N4O/c8-5-4-2-1-3-11(4)10-6(5)7(9)12/h1-3,8H2,(H2,9,12)
InChIKeyUFMLLYLQFULXCH-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.49
Rot. Bonds1

About 3-amino-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxamide

3-amino-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxamide (PubChem CID 11228995) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 3-amino-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxamide.

Molecular Properties

Compound Name3-amino-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxamide
PubChem CID11228995
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name3-amino-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxamide
SMILESNC(=O)c1nn2c(c1N)CCC2
InChIInChI=1S/C7H10N4O/c8-5-4-2-1-3-11(4)10-6(5)7(9)12/h1-3,8H2,(H2,9,12)
InChIKeyUFMLLYLQFULXCH-UHFFFAOYSA-N
XLogP-0.49
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxamide?
The IUPAC name of 3-amino-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxamide (CID 11228995) is 3-amino-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxamide.
What is the SMILES notation for 3-amino-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxamide?
The canonical SMILES for 3-amino-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxamide is NC(=O)c1nn2c(c1N)CCC2.
What is the InChIKey of 3-amino-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxamide?
The InChIKey is UFMLLYLQFULXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c8-5-4-2-1-3-11(4)10-6(5)7(9)12/h1-3,8H2,(H2,9,12).
What are the key properties of 3-amino-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxamide?
3-amino-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxamide has a molecular weight of 166.18 g/mol, XLogP of -0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxamide is sourced from PubChem (CID 11228995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).