5-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide

C14H25N5O — CID 76952250

IUPAC5-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
SMILESCCC1(C)CCN(c2c(C(N)=NO)c(C)nn2C)CC1
InChIInChI=1S/C14H25N5O/c1-5-14(3)6-8-19(9-7-14)13-11(12(15)17-20)10(2)16-18(13)4/h20H,5-9H2,1-4H3,(H2,15,17)
InChIKeySNWZRBAFMPMVPJ-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.84
Rot. Bonds3

About 5-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide

5-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide (PubChem CID 76952250) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 5-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide.

Molecular Properties

Compound Name5-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
PubChem CID76952250
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name5-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
SMILESCCC1(C)CCN(c2c(C(N)=NO)c(C)nn2C)CC1
InChIInChI=1S/C14H25N5O/c1-5-14(3)6-8-19(9-7-14)13-11(12(15)17-20)10(2)16-18(13)4/h20H,5-9H2,1-4H3,(H2,15,17)
InChIKeySNWZRBAFMPMVPJ-UHFFFAOYSA-N
XLogP1.84
TPSA79.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.84
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'}, {'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-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide?
The IUPAC name of 5-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide (CID 76952250) is 5-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide.
What is the SMILES notation for 5-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide?
The canonical SMILES for 5-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide is CCC1(C)CCN(c2c(C(N)=NO)c(C)nn2C)CC1.
What is the InChIKey of 5-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide?
The InChIKey is SNWZRBAFMPMVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-5-14(3)6-8-19(9-7-14)13-11(12(15)17-20)10(2)16-18(13)4/h20H,5-9H2,1-4H3,(H2,15,17).
What are the key properties of 5-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide?
5-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide has a molecular weight of 279.39 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide is sourced from PubChem (CID 76952250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).