2-[ethyl-[(2-ethyl-5-methylpyrazol-3-yl)methyl]amino]-N'-hydroxyethanimidamide

C11H21N5O — CID 77125317

IUPAC2-[ethyl-[(2-ethyl-5-methylpyrazol-3-yl)methyl]amino]-N'-hydroxyethanimidamide
SMILESCCN(CC(N)=NO)Cc1cc(C)nn1CC
InChIInChI=1S/C11H21N5O/c1-4-15(8-11(12)14-17)7-10-6-9(3)13-16(10)5-2/h6,17H,4-5,7-8H2,1-3H3,(H2,12,14)
InChIKeyJBELLCZCTNAVEQ-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.78
Rot. Bonds6

About 2-[ethyl-[(2-ethyl-5-methylpyrazol-3-yl)methyl]amino]-N'-hydroxyethanimidamide

2-[ethyl-[(2-ethyl-5-methylpyrazol-3-yl)methyl]amino]-N'-hydroxyethanimidamide (PubChem CID 77125317) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[ethyl-[(2-ethyl-5-methylpyrazol-3-yl)methyl]amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[ethyl-[(2-ethyl-5-methylpyrazol-3-yl)methyl]amino]-N'-hydroxyethanimidamide
PubChem CID77125317
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name2-[ethyl-[(2-ethyl-5-methylpyrazol-3-yl)methyl]amino]-N'-hydroxyethanimidamide
SMILESCCN(CC(N)=NO)Cc1cc(C)nn1CC
InChIInChI=1S/C11H21N5O/c1-4-15(8-11(12)14-17)7-10-6-9(3)13-16(10)5-2/h6,17H,4-5,7-8H2,1-3H3,(H2,12,14)
InChIKeyJBELLCZCTNAVEQ-UHFFFAOYSA-N
XLogP0.78
TPSA79.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.78
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

N-(2-amino-2-hydroxyiminoethyl)-N,2-diethyl-5-methylpyrazole-3-carboxamide
CID 77113193
ethane;1-(2-ethyl-5-methylpyrazol-3-yl)-N,N-dimethylmethanamine;methanethiol
CID 169135386
N-(2-amino-2-hydroxyiminoethyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 77113156
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-ethyl-5-methylpyrazole-3-carboxamide
CID 77113090
2-[ethyl-[(4-ethylphenyl)methyl]amino]-N'-hydroxyethanimidamide
CID 76929902
5-(chloromethyl)-1-ethyl-3-methylpyrazole
CID 50896690
N-(3-amino-3-hydroxyiminopropyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 77113224
2-[ethyl-[(2-methoxy-5-methylphenyl)methyl]amino]-N'-hydroxyethanimidamide
CID 76936773
N-(4-amino-4-hydroxyiminobutyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 77113223
N'-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-N'-methylpentane-1,5-diamine
CID 107207255
2-[ethyl(quinolin-2-ylmethyl)amino]-N'-hydroxyethanimidamide
CID 76928803
4-(dimethylamino)-1-(2-ethyl-5-methylpyrazol-3-yl)butan-2-one
CID 115345651

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(2-ethyl-5-methylpyrazol-3-yl)methyl]amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[ethyl-[(2-ethyl-5-methylpyrazol-3-yl)methyl]amino]-N'-hydroxyethanimidamide (CID 77125317) is 2-[ethyl-[(2-ethyl-5-methylpyrazol-3-yl)methyl]amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[ethyl-[(2-ethyl-5-methylpyrazol-3-yl)methyl]amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[ethyl-[(2-ethyl-5-methylpyrazol-3-yl)methyl]amino]-N'-hydroxyethanimidamide is CCN(CC(N)=NO)Cc1cc(C)nn1CC.
What is the InChIKey of 2-[ethyl-[(2-ethyl-5-methylpyrazol-3-yl)methyl]amino]-N'-hydroxyethanimidamide?
The InChIKey is JBELLCZCTNAVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-4-15(8-11(12)14-17)7-10-6-9(3)13-16(10)5-2/h6,17H,4-5,7-8H2,1-3H3,(H2,12,14).
What are the key properties of 2-[ethyl-[(2-ethyl-5-methylpyrazol-3-yl)methyl]amino]-N'-hydroxyethanimidamide?
2-[ethyl-[(2-ethyl-5-methylpyrazol-3-yl)methyl]amino]-N'-hydroxyethanimidamide has a molecular weight of 239.32 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(2-ethyl-5-methylpyrazol-3-yl)methyl]amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77125317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).