1-(1,3-diethylpyrazole-5-carbonyl)-N'-hydroxypiperidine-2-carboximidamide

C14H23N5O2 — CID 77113104

IUPAC1-(1,3-diethylpyrazole-5-carbonyl)-N'-hydroxypiperidine-2-carboximidamide
SMILESCCc1cc(C(=O)N2CCCCC2C(N)=NO)n(CC)n1
InChIInChI=1S/C14H23N5O2/c1-3-10-9-12(19(4-2)16-10)14(20)18-8-6-5-7-11(18)13(15)17-21/h9,11,21H,3-8H2,1-2H3,(H2,15,17)
InChIKeyQTEPADGDAABRQL-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.21
Rot. Bonds4

About 1-(1,3-diethylpyrazole-5-carbonyl)-N'-hydroxypiperidine-2-carboximidamide

1-(1,3-diethylpyrazole-5-carbonyl)-N'-hydroxypiperidine-2-carboximidamide (PubChem CID 77113104) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-(1,3-diethylpyrazole-5-carbonyl)-N'-hydroxypiperidine-2-carboximidamide.

Molecular Properties

Compound Name1-(1,3-diethylpyrazole-5-carbonyl)-N'-hydroxypiperidine-2-carboximidamide
PubChem CID77113104
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name1-(1,3-diethylpyrazole-5-carbonyl)-N'-hydroxypiperidine-2-carboximidamide
SMILESCCc1cc(C(=O)N2CCCCC2C(N)=NO)n(CC)n1
InChIInChI=1S/C14H23N5O2/c1-3-10-9-12(19(4-2)16-10)14(20)18-8-6-5-7-11(18)13(15)17-21/h9,11,21H,3-8H2,1-2H3,(H2,15,17)
InChIKeyQTEPADGDAABRQL-UHFFFAOYSA-N
XLogP1.21
TPSA96.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.21
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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Related Compounds

1-(1,3-diethylpyrazole-5-carbonyl)piperidine-2-carboxylic acid
CID 66122346
(1,3-diethylpyrazol-5-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 66122565
(1,3-diethylpyrazol-5-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 66261829
1-[1-(1,3-diethylpyrazole-5-carbonyl)pyrrolidin-2-yl]propan-2-one
CID 79541209
[2-(3-aminopropyl)pyrrolidin-1-yl]-(1,3-diethylpyrazol-5-yl)methanone
CID 66121036
ethyl 1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-2-carboxylate
CID 78991936
azepan-1-yl-(1,3-diethylpyrazol-5-yl)methanone
CID 66120416
ethyl 1-(3-ethyl-1-methylpyrazole-5-carbonyl)pyrrolidine-2-carboxylate
CID 66120366
1-(4-ethylbenzoyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 77035991
(2R)-1-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 78922034
(3-aminopiperidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone
CID 66121216
[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 97116000

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diethylpyrazole-5-carbonyl)-N'-hydroxypiperidine-2-carboximidamide?
The IUPAC name of 1-(1,3-diethylpyrazole-5-carbonyl)-N'-hydroxypiperidine-2-carboximidamide (CID 77113104) is 1-(1,3-diethylpyrazole-5-carbonyl)-N'-hydroxypiperidine-2-carboximidamide.
What is the SMILES notation for 1-(1,3-diethylpyrazole-5-carbonyl)-N'-hydroxypiperidine-2-carboximidamide?
The canonical SMILES for 1-(1,3-diethylpyrazole-5-carbonyl)-N'-hydroxypiperidine-2-carboximidamide is CCc1cc(C(=O)N2CCCCC2C(N)=NO)n(CC)n1.
What is the InChIKey of 1-(1,3-diethylpyrazole-5-carbonyl)-N'-hydroxypiperidine-2-carboximidamide?
The InChIKey is QTEPADGDAABRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-3-10-9-12(19(4-2)16-10)14(20)18-8-6-5-7-11(18)13(15)17-21/h9,11,21H,3-8H2,1-2H3,(H2,15,17).
What are the key properties of 1-(1,3-diethylpyrazole-5-carbonyl)-N'-hydroxypiperidine-2-carboximidamide?
1-(1,3-diethylpyrazole-5-carbonyl)-N'-hydroxypiperidine-2-carboximidamide has a molecular weight of 293.37 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-diethylpyrazole-5-carbonyl)-N'-hydroxypiperidine-2-carboximidamide is sourced from PubChem (CID 77113104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).