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

C12H22N6O — CID 76952238

IUPAC5-(4-ethylpiperazin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
SMILESCCN1CCN(c2c(C(N)=NO)c(C)nn2C)CC1
InChIInChI=1S/C12H22N6O/c1-4-17-5-7-18(8-6-17)12-10(11(13)15-19)9(2)14-16(12)3/h19H,4-8H2,1-3H3,(H2,13,15)
InChIKeyULNRUIQTRXMGHK-UHFFFAOYSA-N
MW266.35 g/mol
LogP-0.04
Rot. Bonds3

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

5-(4-ethylpiperazin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide (PubChem CID 76952238) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is 5-(4-ethylpiperazin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide.

Molecular Properties

Compound Name5-(4-ethylpiperazin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
PubChem CID76952238
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC Name5-(4-ethylpiperazin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
SMILESCCN1CCN(c2c(C(N)=NO)c(C)nn2C)CC1
InChIInChI=1S/C12H22N6O/c1-4-17-5-7-18(8-6-17)12-10(11(13)15-19)9(2)14-16(12)3/h19H,4-8H2,1-3H3,(H2,13,15)
InChIKeyULNRUIQTRXMGHK-UHFFFAOYSA-N
XLogP-0.04
TPSA82.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

5-(4-ethyl-4-methylpiperidin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 76952250
N'-hydroxy-1,3-dimethyl-5-(4-methyl-1,4-diazepan-1-yl)pyrazole-4-carboximidamide
CID 76952267
N'-hydroxy-1,3-dimethyl-5-thiomorpholin-4-ylpyrazole-4-carboximidamide
CID 76952268
5-(3-ethyl-4-methylpiperazin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 76952372
5-(3-ethylpiperidin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 55242512
5-(3,4-dimethoxypyrrolidin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 103534006
5-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 76952249
N'-hydroxy-1,3-dimethyl-5-(2-piperidin-1-ylethoxy)pyrazole-4-carboximidamide
CID 76951959
1,3-dimethyl-5-pyrrolidin-1-ylpyrazole-4-carbothioamide
CID 63757362
5-(cyclopropylmethoxy)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 76951956
N'-hydroxy-5-[3-(hydroxymethyl)morpholin-4-yl]-1,3-dimethylpyrazole-4-carboximidamide
CID 104877402
N'-hydroxy-1,3-dimethyl-5-(1,2,4-triazol-1-yl)pyrazole-4-carboximidamide
CID 76952015

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylpiperazin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide?
The IUPAC name of 5-(4-ethylpiperazin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide (CID 76952238) is 5-(4-ethylpiperazin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide.
What is the SMILES notation for 5-(4-ethylpiperazin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide?
The canonical SMILES for 5-(4-ethylpiperazin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide is CCN1CCN(c2c(C(N)=NO)c(C)nn2C)CC1.
What is the InChIKey of 5-(4-ethylpiperazin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide?
The InChIKey is ULNRUIQTRXMGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O/c1-4-17-5-7-18(8-6-17)12-10(11(13)15-19)9(2)14-16(12)3/h19H,4-8H2,1-3H3,(H2,13,15).
What are the key properties of 5-(4-ethylpiperazin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide?
5-(4-ethylpiperazin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide has a molecular weight of 266.35 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylpiperazin-1-yl)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide is sourced from PubChem (CID 76952238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).