2-ethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboximidamide

C9H14N4O — CID 121214432

IUPAC2-ethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboximidamide
SMILES[H]/N=C(\N)c1c2c(nn1CC)CCOC2
InChIInChI=1S/C9H14N4O/c1-2-13-8(9(10)11)6-5-14-4-3-7(6)12-13/h2-5H2,1H3,(H3,10,11)
InChIKeyIJEXCSXOHCLGOE-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.26
Rot. Bonds2

About 2-ethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboximidamide

2-ethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboximidamide (PubChem CID 121214432) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 2-ethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboximidamide.

Molecular Properties

Compound Name2-ethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboximidamide
PubChem CID121214432
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name2-ethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboximidamide
SMILES[H]/N=C(\N)c1c2c(nn1CC)CCOC2
InChIInChI=1S/C9H14N4O/c1-2-13-8(9(10)11)6-5-14-4-3-7(6)12-13/h2-5H2,1H3,(H3,10,11)
InChIKeyIJEXCSXOHCLGOE-UHFFFAOYSA-N
XLogP0.26
TPSA76.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-ethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboximidamide?
The IUPAC name of 2-ethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboximidamide (CID 121214432) is 2-ethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboximidamide.
What is the SMILES notation for 2-ethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboximidamide?
The canonical SMILES for 2-ethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboximidamide is [H]/N=C(\N)c1c2c(nn1CC)CCOC2.
What is the InChIKey of 2-ethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboximidamide?
The InChIKey is IJEXCSXOHCLGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-2-13-8(9(10)11)6-5-14-4-3-7(6)12-13/h2-5H2,1H3,(H3,10,11).
What are the key properties of 2-ethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboximidamide?
2-ethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboximidamide has a molecular weight of 194.24 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboximidamide is sourced from PubChem (CID 121214432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).