1-(2-ethyl-5-methylpyrazole-3-carbonyl)-N'-hydroxypiperidine-4-carboximidamide

C13H21N5O2 — CID 77113272

IUPAC1-(2-ethyl-5-methylpyrazole-3-carbonyl)-N'-hydroxypiperidine-4-carboximidamide
SMILESCCn1nc(C)cc1C(=O)N1CCC(C(N)=NO)CC1
InChIInChI=1S/C13H21N5O2/c1-3-18-11(8-9(2)15-18)13(19)17-6-4-10(5-7-17)12(14)16-20/h8,10,20H,3-7H2,1-2H3,(H2,14,16)
InChIKeyMGHFYISRZWMRGS-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.81
Rot. Bonds3

About 1-(2-ethyl-5-methylpyrazole-3-carbonyl)-N'-hydroxypiperidine-4-carboximidamide

1-(2-ethyl-5-methylpyrazole-3-carbonyl)-N'-hydroxypiperidine-4-carboximidamide (PubChem CID 77113272) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-(2-ethyl-5-methylpyrazole-3-carbonyl)-N'-hydroxypiperidine-4-carboximidamide.

Molecular Properties

Compound Name1-(2-ethyl-5-methylpyrazole-3-carbonyl)-N'-hydroxypiperidine-4-carboximidamide
PubChem CID77113272
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name1-(2-ethyl-5-methylpyrazole-3-carbonyl)-N'-hydroxypiperidine-4-carboximidamide
SMILESCCn1nc(C)cc1C(=O)N1CCC(C(N)=NO)CC1
InChIInChI=1S/C13H21N5O2/c1-3-18-11(8-9(2)15-18)13(19)17-6-4-10(5-7-17)12(14)16-20/h8,10,20H,3-7H2,1-2H3,(H2,14,16)
InChIKeyMGHFYISRZWMRGS-UHFFFAOYSA-N
XLogP0.81
TPSA96.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.81
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

aziridin-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 127002241
2-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]acetic acid
CID 79615523
(3-amino-4-methylpyrrolidin-1-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 103575707
(3-amino-5-methylpiperidin-1-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 79994530
ethyl (3S)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-3-carboxylate
CID 81338249
[4-(2-aminoethyl)piperazin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 66128659
(2-ethyl-5-methylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone
CID 66121470
[4-(aminomethyl)-4-methylpiperidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 107159927
1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-3-sulfonamide
CID 64867620
(2-ethyl-5-methylpyrazol-3-yl)-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
CID 111109380
1-(2-ethyl-5-methylpyrazole-3-carbonyl)-4-methylsulfanylpiperidine-4-carbothioamide
CID 66129114
2-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid
CID 136556527

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5-methylpyrazole-3-carbonyl)-N'-hydroxypiperidine-4-carboximidamide?
The IUPAC name of 1-(2-ethyl-5-methylpyrazole-3-carbonyl)-N'-hydroxypiperidine-4-carboximidamide (CID 77113272) is 1-(2-ethyl-5-methylpyrazole-3-carbonyl)-N'-hydroxypiperidine-4-carboximidamide.
What is the SMILES notation for 1-(2-ethyl-5-methylpyrazole-3-carbonyl)-N'-hydroxypiperidine-4-carboximidamide?
The canonical SMILES for 1-(2-ethyl-5-methylpyrazole-3-carbonyl)-N'-hydroxypiperidine-4-carboximidamide is CCn1nc(C)cc1C(=O)N1CCC(C(N)=NO)CC1.
What is the InChIKey of 1-(2-ethyl-5-methylpyrazole-3-carbonyl)-N'-hydroxypiperidine-4-carboximidamide?
The InChIKey is MGHFYISRZWMRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-3-18-11(8-9(2)15-18)13(19)17-6-4-10(5-7-17)12(14)16-20/h8,10,20H,3-7H2,1-2H3,(H2,14,16).
What are the key properties of 1-(2-ethyl-5-methylpyrazole-3-carbonyl)-N'-hydroxypiperidine-4-carboximidamide?
1-(2-ethyl-5-methylpyrazole-3-carbonyl)-N'-hydroxypiperidine-4-carboximidamide has a molecular weight of 279.34 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5-methylpyrazole-3-carbonyl)-N'-hydroxypiperidine-4-carboximidamide is sourced from PubChem (CID 77113272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).