5-[4-(1-hydroxyethyl)piperidin-1-yl]-1,3-dimethylpyrazole-4-carboximidamide

C13H23N5O — CID 106836120

IUPAC5-[4-(1-hydroxyethyl)piperidin-1-yl]-1,3-dimethylpyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1N1CCC(C(C)O)CC1
InChIInChI=1S/C13H23N5O/c1-8-11(12(14)15)13(17(3)16-8)18-6-4-10(5-7-18)9(2)19/h9-10,19H,4-7H2,1-3H3,(H3,14,15)
InChIKeyNQWDELMOROQXDW-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.61
Rot. Bonds3

About 5-[4-(1-hydroxyethyl)piperidin-1-yl]-1,3-dimethylpyrazole-4-carboximidamide

5-[4-(1-hydroxyethyl)piperidin-1-yl]-1,3-dimethylpyrazole-4-carboximidamide (PubChem CID 106836120) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-[4-(1-hydroxyethyl)piperidin-1-yl]-1,3-dimethylpyrazole-4-carboximidamide.

Molecular Properties

Compound Name5-[4-(1-hydroxyethyl)piperidin-1-yl]-1,3-dimethylpyrazole-4-carboximidamide
PubChem CID106836120
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name5-[4-(1-hydroxyethyl)piperidin-1-yl]-1,3-dimethylpyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1N1CCC(C(C)O)CC1
InChIInChI=1S/C13H23N5O/c1-8-11(12(14)15)13(17(3)16-8)18-6-4-10(5-7-18)9(2)19/h9-10,19H,4-7H2,1-3H3,(H3,14,15)
InChIKeyNQWDELMOROQXDW-UHFFFAOYSA-N
XLogP0.61
TPSA91.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.61
H-Bond Donors ≤ 53
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 5-[4-(1-hydroxyethyl)piperidin-1-yl]-1,3-dimethylpyrazole-4-carboximidamide?
The IUPAC name of 5-[4-(1-hydroxyethyl)piperidin-1-yl]-1,3-dimethylpyrazole-4-carboximidamide (CID 106836120) is 5-[4-(1-hydroxyethyl)piperidin-1-yl]-1,3-dimethylpyrazole-4-carboximidamide.
What is the SMILES notation for 5-[4-(1-hydroxyethyl)piperidin-1-yl]-1,3-dimethylpyrazole-4-carboximidamide?
The canonical SMILES for 5-[4-(1-hydroxyethyl)piperidin-1-yl]-1,3-dimethylpyrazole-4-carboximidamide is [H]/N=C(\N)c1c(C)nn(C)c1N1CCC(C(C)O)CC1.
What is the InChIKey of 5-[4-(1-hydroxyethyl)piperidin-1-yl]-1,3-dimethylpyrazole-4-carboximidamide?
The InChIKey is NQWDELMOROQXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-8-11(12(14)15)13(17(3)16-8)18-6-4-10(5-7-18)9(2)19/h9-10,19H,4-7H2,1-3H3,(H3,14,15).
What are the key properties of 5-[4-(1-hydroxyethyl)piperidin-1-yl]-1,3-dimethylpyrazole-4-carboximidamide?
5-[4-(1-hydroxyethyl)piperidin-1-yl]-1,3-dimethylpyrazole-4-carboximidamide has a molecular weight of 265.36 g/mol, XLogP of 0.61, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1-hydroxyethyl)piperidin-1-yl]-1,3-dimethylpyrazole-4-carboximidamide is sourced from PubChem (CID 106836120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).