3-(dimethylaminodiazenyl)-1-[(2R)-oxolan-2-yl]pyrazole-4-carboxamide

C10H16N6O2 — CID 92526526

IUPAC3-(dimethylaminodiazenyl)-1-[(2R)-oxolan-2-yl]pyrazole-4-carboxamide
SMILESCN(C)/N=N/c1nn([C@H]2CCCO2)cc1C(N)=O
InChIInChI=1S/C10H16N6O2/c1-15(2)14-12-10-7(9(11)17)6-16(13-10)8-4-3-5-18-8/h6,8H,3-5H2,1-2H3,(H2,11,17)/b14-12+/t8-/m1/s1
InChIKeyXTWSZYZDYFSVMU-AQUFRFDZSA-N
MW252.28 g/mol
LogP0.85
Rot. Bonds4

About 3-(dimethylaminodiazenyl)-1-[(2R)-oxolan-2-yl]pyrazole-4-carboxamide

3-(dimethylaminodiazenyl)-1-[(2R)-oxolan-2-yl]pyrazole-4-carboxamide (PubChem CID 92526526) has the molecular formula C10H16N6O2 and a molecular weight of 252.28 g/mol. Its IUPAC name is 3-(dimethylaminodiazenyl)-1-[(2R)-oxolan-2-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(dimethylaminodiazenyl)-1-[(2R)-oxolan-2-yl]pyrazole-4-carboxamide
PubChem CID92526526
Molecular FormulaC10H16N6O2
Molecular Weight252.28 g/mol
Exact Mass252.13
IUPAC Name3-(dimethylaminodiazenyl)-1-[(2R)-oxolan-2-yl]pyrazole-4-carboxamide
SMILESCN(C)/N=N/c1nn([C@H]2CCCO2)cc1C(N)=O
InChIInChI=1S/C10H16N6O2/c1-15(2)14-12-10-7(9(11)17)6-16(13-10)8-4-3-5-18-8/h6,8H,3-5H2,1-2H3,(H2,11,17)/b14-12+/t8-/m1/s1
InChIKeyXTWSZYZDYFSVMU-AQUFRFDZSA-N
XLogP0.85
TPSA98.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylaminodiazenyl)-1-[(2R)-oxolan-2-yl]pyrazole-4-carboxamide?
The IUPAC name of 3-(dimethylaminodiazenyl)-1-[(2R)-oxolan-2-yl]pyrazole-4-carboxamide (CID 92526526) is 3-(dimethylaminodiazenyl)-1-[(2R)-oxolan-2-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-(dimethylaminodiazenyl)-1-[(2R)-oxolan-2-yl]pyrazole-4-carboxamide?
The canonical SMILES for 3-(dimethylaminodiazenyl)-1-[(2R)-oxolan-2-yl]pyrazole-4-carboxamide is CN(C)/N=N/c1nn([C@H]2CCCO2)cc1C(N)=O.
What is the InChIKey of 3-(dimethylaminodiazenyl)-1-[(2R)-oxolan-2-yl]pyrazole-4-carboxamide?
The InChIKey is XTWSZYZDYFSVMU-AQUFRFDZSA-N. The full InChI is InChI=1S/C10H16N6O2/c1-15(2)14-12-10-7(9(11)17)6-16(13-10)8-4-3-5-18-8/h6,8H,3-5H2,1-2H3,(H2,11,17)/b14-12+/t8-/m1/s1.
What are the key properties of 3-(dimethylaminodiazenyl)-1-[(2R)-oxolan-2-yl]pyrazole-4-carboxamide?
3-(dimethylaminodiazenyl)-1-[(2R)-oxolan-2-yl]pyrazole-4-carboxamide has a molecular weight of 252.28 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylaminodiazenyl)-1-[(2R)-oxolan-2-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 92526526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).