5-[2-[di(propan-2-yl)amino]ethoxy]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide

C14H27N5O2 — CID 115505568

IUPAC5-[2-[di(propan-2-yl)amino]ethoxy]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
SMILESCc1nn(C)c(OCCN(C(C)C)C(C)C)c1C(N)=NO
InChIInChI=1S/C14H27N5O2/c1-9(2)19(10(3)4)7-8-21-14-12(13(15)17-20)11(5)16-18(14)6/h9-10,20H,7-8H2,1-6H3,(H2,15,17)
InChIKeyDYCRSJLXBQSXFE-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.32
Rot. Bonds7

About 5-[2-[di(propan-2-yl)amino]ethoxy]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide

5-[2-[di(propan-2-yl)amino]ethoxy]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide (PubChem CID 115505568) has the molecular formula C14H27N5O2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 5-[2-[di(propan-2-yl)amino]ethoxy]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide.

Molecular Properties

Compound Name5-[2-[di(propan-2-yl)amino]ethoxy]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
PubChem CID115505568
Molecular FormulaC14H27N5O2
Molecular Weight297.40 g/mol
Exact Mass297.22
IUPAC Name5-[2-[di(propan-2-yl)amino]ethoxy]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
SMILESCc1nn(C)c(OCCN(C(C)C)C(C)C)c1C(N)=NO
InChIInChI=1S/C14H27N5O2/c1-9(2)19(10(3)4)7-8-21-14-12(13(15)17-20)11(5)16-18(14)6/h9-10,20H,7-8H2,1-6H3,(H2,15,17)
InChIKeyDYCRSJLXBQSXFE-UHFFFAOYSA-N
XLogP1.32
TPSA88.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 5-[2-[di(propan-2-yl)amino]ethoxy]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide?
The IUPAC name of 5-[2-[di(propan-2-yl)amino]ethoxy]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide (CID 115505568) is 5-[2-[di(propan-2-yl)amino]ethoxy]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide.
What is the SMILES notation for 5-[2-[di(propan-2-yl)amino]ethoxy]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide?
The canonical SMILES for 5-[2-[di(propan-2-yl)amino]ethoxy]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide is Cc1nn(C)c(OCCN(C(C)C)C(C)C)c1C(N)=NO.
What is the InChIKey of 5-[2-[di(propan-2-yl)amino]ethoxy]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide?
The InChIKey is DYCRSJLXBQSXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O2/c1-9(2)19(10(3)4)7-8-21-14-12(13(15)17-20)11(5)16-18(14)6/h9-10,20H,7-8H2,1-6H3,(H2,15,17).
What are the key properties of 5-[2-[di(propan-2-yl)amino]ethoxy]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide?
5-[2-[di(propan-2-yl)amino]ethoxy]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide has a molecular weight of 297.40 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[di(propan-2-yl)amino]ethoxy]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide is sourced from PubChem (CID 115505568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).