N-hydroxy-N'-(4-methyl-1H-pyrazol-5-yl)propanimidamide

C7H12N4O — CID 54250230

IUPACN-hydroxy-N'-(4-methyl-1H-pyrazol-5-yl)propanimidamide
SMILESCCC(=Nc1[nH]ncc1C)NO
InChIInChI=1S/C7H12N4O/c1-3-6(11-12)9-7-5(2)4-8-10-7/h4,12H,3H2,1-2H3,(H2,8,9,10,11)
InChIKeyQWFSYWSKAMTGJU-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.14
Rot. Bonds2

About N-hydroxy-N'-(4-methyl-1H-pyrazol-5-yl)propanimidamide

N-hydroxy-N'-(4-methyl-1H-pyrazol-5-yl)propanimidamide (PubChem CID 54250230) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is N-hydroxy-N'-(4-methyl-1H-pyrazol-5-yl)propanimidamide.

Molecular Properties

Compound NameN-hydroxy-N'-(4-methyl-1H-pyrazol-5-yl)propanimidamide
PubChem CID54250230
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC NameN-hydroxy-N'-(4-methyl-1H-pyrazol-5-yl)propanimidamide
SMILESCCC(=Nc1[nH]ncc1C)NO
InChIInChI=1S/C7H12N4O/c1-3-6(11-12)9-7-5(2)4-8-10-7/h4,12H,3H2,1-2H3,(H2,8,9,10,11)
InChIKeyQWFSYWSKAMTGJU-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'}

Analyze N-hydroxy-N'-(4-methyl-1H-pyrazol-5-yl)propanimidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N'-(4-methyl-1H-pyrazol-5-yl)propanimidamide?
The IUPAC name of N-hydroxy-N'-(4-methyl-1H-pyrazol-5-yl)propanimidamide (CID 54250230) is N-hydroxy-N'-(4-methyl-1H-pyrazol-5-yl)propanimidamide.
What is the SMILES notation for N-hydroxy-N'-(4-methyl-1H-pyrazol-5-yl)propanimidamide?
The canonical SMILES for N-hydroxy-N'-(4-methyl-1H-pyrazol-5-yl)propanimidamide is CCC(=Nc1[nH]ncc1C)NO.
What is the InChIKey of N-hydroxy-N'-(4-methyl-1H-pyrazol-5-yl)propanimidamide?
The InChIKey is QWFSYWSKAMTGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-3-6(11-12)9-7-5(2)4-8-10-7/h4,12H,3H2,1-2H3,(H2,8,9,10,11).
What are the key properties of N-hydroxy-N'-(4-methyl-1H-pyrazol-5-yl)propanimidamide?
N-hydroxy-N'-(4-methyl-1H-pyrazol-5-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'-(4-methyl-1H-pyrazol-5-yl)propanimidamide is sourced from PubChem (CID 54250230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).