1-ethyl-N'-hydroxy-4,5-dimethylpyrazole-3-carboximidamide

C8H14N4O — CID 135703135

IUPAC1-ethyl-N'-hydroxy-4,5-dimethylpyrazole-3-carboximidamide
SMILESCCn1nc(/C(N)=N/O)c(C)c1C
InChIInChI=1S/C8H14N4O/c1-4-12-6(3)5(2)7(10-12)8(9)11-13/h13H,4H2,1-3H3,(H2,9,11)
InChIKeyUMHROCRGWYAJQF-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.61
Rot. Bonds2

About 1-ethyl-N'-hydroxy-4,5-dimethylpyrazole-3-carboximidamide

1-ethyl-N'-hydroxy-4,5-dimethylpyrazole-3-carboximidamide (PubChem CID 135703135) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 1-ethyl-N'-hydroxy-4,5-dimethylpyrazole-3-carboximidamide.

Molecular Properties

Compound Name1-ethyl-N'-hydroxy-4,5-dimethylpyrazole-3-carboximidamide
PubChem CID135703135
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name1-ethyl-N'-hydroxy-4,5-dimethylpyrazole-3-carboximidamide
SMILESCCn1nc(/C(N)=N/O)c(C)c1C
InChIInChI=1S/C8H14N4O/c1-4-12-6(3)5(2)7(10-12)8(9)11-13/h13H,4H2,1-3H3,(H2,9,11)
InChIKeyUMHROCRGWYAJQF-UHFFFAOYSA-N
XLogP0.61
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze 1-ethyl-N'-hydroxy-4,5-dimethylpyrazole-3-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1,3,5-trimethyl-1H-pyrazol-4-yl)methylamine
CID 2776430
[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl](methyl)amine
CID 7022224
1,3,5-trimethyl-1H-pyrazole-4-carbaldehyde oxime
CID 9559822
Sbb010340
CID 6492580
(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methanamine
CID 16394814
2-(3,4,5-Trimethylpyrazol-1-yl)propan-1-amine
CID 6492579
N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 23005746
N-methyl-1-(1,3,5-trimethyl-1H-pyrazol-4-yl)methanamine
CID 579620
(3,5-Dimethyl-1-propyl-1H-pyrazol-4-YL)methylamine
CID 19620896
[(1-Isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]amine
CID 23005637
pentyl[(trimethyl-1H-pyrazol-4-yl)methyl]amine
CID 28612057
[(3,5-dimethyl-1-propyl-1H-pyrazol-4-yl)methyl]amine dihydrochloride hydrate
CID 50944252

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N'-hydroxy-4,5-dimethylpyrazole-3-carboximidamide?
The IUPAC name of 1-ethyl-N'-hydroxy-4,5-dimethylpyrazole-3-carboximidamide (CID 135703135) is 1-ethyl-N'-hydroxy-4,5-dimethylpyrazole-3-carboximidamide.
What is the SMILES notation for 1-ethyl-N'-hydroxy-4,5-dimethylpyrazole-3-carboximidamide?
The canonical SMILES for 1-ethyl-N'-hydroxy-4,5-dimethylpyrazole-3-carboximidamide is CCn1nc(/C(N)=N/O)c(C)c1C.
What is the InChIKey of 1-ethyl-N'-hydroxy-4,5-dimethylpyrazole-3-carboximidamide?
The InChIKey is UMHROCRGWYAJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-4-12-6(3)5(2)7(10-12)8(9)11-13/h13H,4H2,1-3H3,(H2,9,11).
What are the key properties of 1-ethyl-N'-hydroxy-4,5-dimethylpyrazole-3-carboximidamide?
1-ethyl-N'-hydroxy-4,5-dimethylpyrazole-3-carboximidamide has a molecular weight of 182.23 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N'-hydroxy-4,5-dimethylpyrazole-3-carboximidamide is sourced from PubChem (CID 135703135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).