5-(3-hydroxypropoxy)-1,3-dimethylpyrazole-4-carboximidamide

C9H16N4O2 — CID 63752575

IUPAC5-(3-hydroxypropoxy)-1,3-dimethylpyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1OCCCO
InChIInChI=1S/C9H16N4O2/c1-6-7(8(10)11)9(13(2)12-6)15-5-3-4-14/h14H,3-5H2,1-2H3,(H3,10,11)
InChIKeyNBYXQYSNFOAURL-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.23
Rot. Bonds5

About 5-(3-hydroxypropoxy)-1,3-dimethylpyrazole-4-carboximidamide

5-(3-hydroxypropoxy)-1,3-dimethylpyrazole-4-carboximidamide (PubChem CID 63752575) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 5-(3-hydroxypropoxy)-1,3-dimethylpyrazole-4-carboximidamide.

Molecular Properties

Compound Name5-(3-hydroxypropoxy)-1,3-dimethylpyrazole-4-carboximidamide
PubChem CID63752575
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name5-(3-hydroxypropoxy)-1,3-dimethylpyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1OCCCO
InChIInChI=1S/C9H16N4O2/c1-6-7(8(10)11)9(13(2)12-6)15-5-3-4-14/h14H,3-5H2,1-2H3,(H3,10,11)
InChIKeyNBYXQYSNFOAURL-UHFFFAOYSA-N
XLogP-0.23
TPSA97.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 5-(3-hydroxypropoxy)-1,3-dimethylpyrazole-4-carboximidamide?
The IUPAC name of 5-(3-hydroxypropoxy)-1,3-dimethylpyrazole-4-carboximidamide (CID 63752575) is 5-(3-hydroxypropoxy)-1,3-dimethylpyrazole-4-carboximidamide.
What is the SMILES notation for 5-(3-hydroxypropoxy)-1,3-dimethylpyrazole-4-carboximidamide?
The canonical SMILES for 5-(3-hydroxypropoxy)-1,3-dimethylpyrazole-4-carboximidamide is [H]/N=C(\N)c1c(C)nn(C)c1OCCCO.
What is the InChIKey of 5-(3-hydroxypropoxy)-1,3-dimethylpyrazole-4-carboximidamide?
The InChIKey is NBYXQYSNFOAURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-6-7(8(10)11)9(13(2)12-6)15-5-3-4-14/h14H,3-5H2,1-2H3,(H3,10,11).
What are the key properties of 5-(3-hydroxypropoxy)-1,3-dimethylpyrazole-4-carboximidamide?
5-(3-hydroxypropoxy)-1,3-dimethylpyrazole-4-carboximidamide has a molecular weight of 212.25 g/mol, XLogP of -0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxypropoxy)-1,3-dimethylpyrazole-4-carboximidamide is sourced from PubChem (CID 63752575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).