1,3-dimethyl-5-(oxolan-3-yloxy)pyrazole-4-carboximidamide

C10H16N4O2 — CID 63752289

IUPAC1,3-dimethyl-5-(oxolan-3-yloxy)pyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1OC1CCOC1
InChIInChI=1S/C10H16N4O2/c1-6-8(9(11)12)10(14(2)13-6)16-7-3-4-15-5-7/h7H,3-5H2,1-2H3,(H3,11,12)
InChIKeyNRGYXCACTQEZAJ-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.18
Rot. Bonds3

About 1,3-dimethyl-5-(oxolan-3-yloxy)pyrazole-4-carboximidamide

1,3-dimethyl-5-(oxolan-3-yloxy)pyrazole-4-carboximidamide (PubChem CID 63752289) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1,3-dimethyl-5-(oxolan-3-yloxy)pyrazole-4-carboximidamide.

Molecular Properties

Compound Name1,3-dimethyl-5-(oxolan-3-yloxy)pyrazole-4-carboximidamide
PubChem CID63752289
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name1,3-dimethyl-5-(oxolan-3-yloxy)pyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1OC1CCOC1
InChIInChI=1S/C10H16N4O2/c1-6-8(9(11)12)10(14(2)13-6)16-7-3-4-15-5-7/h7H,3-5H2,1-2H3,(H3,11,12)
InChIKeyNRGYXCACTQEZAJ-UHFFFAOYSA-N
XLogP0.18
TPSA86.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(oxolan-3-yloxy)pyrazole-4-carboximidamide?
The IUPAC name of 1,3-dimethyl-5-(oxolan-3-yloxy)pyrazole-4-carboximidamide (CID 63752289) is 1,3-dimethyl-5-(oxolan-3-yloxy)pyrazole-4-carboximidamide.
What is the SMILES notation for 1,3-dimethyl-5-(oxolan-3-yloxy)pyrazole-4-carboximidamide?
The canonical SMILES for 1,3-dimethyl-5-(oxolan-3-yloxy)pyrazole-4-carboximidamide is [H]/N=C(\N)c1c(C)nn(C)c1OC1CCOC1.
What is the InChIKey of 1,3-dimethyl-5-(oxolan-3-yloxy)pyrazole-4-carboximidamide?
The InChIKey is NRGYXCACTQEZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-6-8(9(11)12)10(14(2)13-6)16-7-3-4-15-5-7/h7H,3-5H2,1-2H3,(H3,11,12).
What are the key properties of 1,3-dimethyl-5-(oxolan-3-yloxy)pyrazole-4-carboximidamide?
1,3-dimethyl-5-(oxolan-3-yloxy)pyrazole-4-carboximidamide has a molecular weight of 224.26 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(oxolan-3-yloxy)pyrazole-4-carboximidamide is sourced from PubChem (CID 63752289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).