N'-hydroxy-2,5-dimethylpyrazole-3-carboximidamide

C6H10N4O — CID 135605973

IUPACN'-hydroxy-2,5-dimethylpyrazole-3-carboximidamide
SMILESCc1cc(/C(N)=N/O)n(C)n1
InChIInChI=1S/C6H10N4O/c1-4-3-5(6(7)9-11)10(2)8-4/h3,11H,1-2H3,(H2,7,9)
InChIKeyMOFIFVBYVUWONE-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.18
Rot. Bonds1

About N'-hydroxy-2,5-dimethylpyrazole-3-carboximidamide

N'-hydroxy-2,5-dimethylpyrazole-3-carboximidamide (PubChem CID 135605973) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is N'-hydroxy-2,5-dimethylpyrazole-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2,5-dimethylpyrazole-3-carboximidamide
PubChem CID135605973
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC NameN'-hydroxy-2,5-dimethylpyrazole-3-carboximidamide
SMILESCc1cc(/C(N)=N/O)n(C)n1
InChIInChI=1S/C6H10N4O/c1-4-3-5(6(7)9-11)10(2)8-4/h3,11H,1-2H3,(H2,7,9)
InChIKeyMOFIFVBYVUWONE-UHFFFAOYSA-N
XLogP-0.18
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.18
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'}

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Related Compounds

(1,3-Dimethyl-1H-pyrazol-5-yl)methanamine
CID 1257670
2-(3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-amine
CID 1091687
(1,5-dimethyl-1H-pyrazol-3-yl)methanamine
CID 2776367
N-[(1,3-Dimethyl-1H-Pyrazol-5-Yl)Methyl]-N-Methylamine
CID 23005845
(1,5-dimethyl-1H-pyrazol-3-yl)methanamine hydrochloride
CID 45157159
N-Hydroxy-1,3-dimethyl-1H-pyrazole-5-carboximidamide
CID 2743877
N-[1-(3,5-dimethyl-1H-pyrazol-1-yl)propan-2-ylidene]hydroxylamine
CID 42962772
1H-Pyrazole-5-carboximidamide,N-hydroxy-1,3-dimethyl-
CID 135545016
(1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)methanamine
CID 50896786
2-(5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetimidamide
CID 121211698
N'-hydroxy-1-methyl-3-(trifluoromethyl)pyrazole-5-carboximidamide
CID 136723101
N'-hydroxy-1-methyl-5-(trifluoromethyl)pyrazole-3-carboximidamide
CID 137028858

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,5-dimethylpyrazole-3-carboximidamide?
The IUPAC name of N'-hydroxy-2,5-dimethylpyrazole-3-carboximidamide (CID 135605973) is N'-hydroxy-2,5-dimethylpyrazole-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2,5-dimethylpyrazole-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2,5-dimethylpyrazole-3-carboximidamide is Cc1cc(/C(N)=N/O)n(C)n1.
What is the InChIKey of N'-hydroxy-2,5-dimethylpyrazole-3-carboximidamide?
The InChIKey is MOFIFVBYVUWONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c1-4-3-5(6(7)9-11)10(2)8-4/h3,11H,1-2H3,(H2,7,9).
What are the key properties of N'-hydroxy-2,5-dimethylpyrazole-3-carboximidamide?
N'-hydroxy-2,5-dimethylpyrazole-3-carboximidamide has a molecular weight of 154.17 g/mol, XLogP of -0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,5-dimethylpyrazole-3-carboximidamide is sourced from PubChem (CID 135605973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).