N-hydroxy-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide

C7H12N4O — CID 10607196

IUPACN-hydroxy-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide
SMILESCC/C(=N\c1cc(C)[nH]n1)NO
InChIInChI=1S/C7H12N4O/c1-3-6(11-12)8-7-4-5(2)9-10-7/h4,12H,3H2,1-2H3,(H2,8,9,10,11)
InChIKeyOJOWUKGDKMKIKV-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.14
Rot. Bonds2

About N-hydroxy-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide

N-hydroxy-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide (PubChem CID 10607196) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is N-hydroxy-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide.

Molecular Properties

Compound NameN-hydroxy-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide
PubChem CID10607196
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC NameN-hydroxy-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide
SMILESCC/C(=N\c1cc(C)[nH]n1)NO
InChIInChI=1S/C7H12N4O/c1-3-6(11-12)8-7-4-5(2)9-10-7/h4,12H,3H2,1-2H3,(H2,8,9,10,11)
InChIKeyOJOWUKGDKMKIKV-UHFFFAOYSA-N
XLogP1.14
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(5-methyl-1H-pyrazol-3-yl)butanimidamide
CID 10844796
N-hydroxy-N'-(4-methyl-1H-pyrazol-5-yl)propanimidamide
CID 54250230
acetic acid;N'-(5-methyl-1H-pyrazol-3-yl)ethanimidamide
CID 139034558
N'-(5-ethyl-1H-pyrazol-3-yl)propanimidamide;hydrochloride
CID 19002153
N'-[C-ethyl-N-(5-methyl-1H-pyrazol-3-yl)carbonimidoyl]-N,2-diphenylbenzenecarboximidamide
CID 70891932
phenyl N-cyano-N'-(5-methyl-1H-pyrazol-3-yl)carbamimidate
CID 59689620
3,5-dimethyl-1H-pyrazole;ethanol
CID 175303742
N'-(5-ethyl-1H-pyrazol-3-yl)butanimidamide
CID 10511594
N-[(5-methyl-1H-pyrazol-3-yl)diazenyl]-N-propan-2-ylpropan-2-amine
CID 170459337
ethane;N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine
CID 171515765
N'-(5-propyl-1H-pyrazol-3-yl)butanimidamide;hydrochloride
CID 19002148
3-(4-hydroxypiperidin-1-yl)-3-imino-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide
CID 123836010

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide?
The IUPAC name of N-hydroxy-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide (CID 10607196) is N-hydroxy-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide.
What is the SMILES notation for N-hydroxy-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide?
The canonical SMILES for N-hydroxy-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide is CC/C(=N\c1cc(C)[nH]n1)NO.
What is the InChIKey of N-hydroxy-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide?
The InChIKey is OJOWUKGDKMKIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-3-6(11-12)8-7-4-5(2)9-10-7/h4,12H,3H2,1-2H3,(H2,8,9,10,11).
What are the key properties of N-hydroxy-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide?
N-hydroxy-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide has a molecular weight of 168.20 g/mol, XLogP of 1.14, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-(5-methyl-1H-pyrazol-3-yl)propanimidamide is sourced from PubChem (CID 10607196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).