N'-hydroxy-2-(2-pyrazol-1-ylethylamino)propanimidamide

C8H15N5O — CID 77031329

IUPACN'-hydroxy-2-(2-pyrazol-1-ylethylamino)propanimidamide
SMILESCC(NCCn1cccn1)C(N)=NO
InChIInChI=1S/C8H15N5O/c1-7(8(9)12-14)10-4-6-13-5-2-3-11-13/h2-3,5,7,10,14H,4,6H2,1H3,(H2,9,12)
InChIKeyHZTLKFMWMJOAEF-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.39
Rot. Bonds5

About N'-hydroxy-2-(2-pyrazol-1-ylethylamino)propanimidamide

N'-hydroxy-2-(2-pyrazol-1-ylethylamino)propanimidamide (PubChem CID 77031329) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is N'-hydroxy-2-(2-pyrazol-1-ylethylamino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(2-pyrazol-1-ylethylamino)propanimidamide
PubChem CID77031329
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC NameN'-hydroxy-2-(2-pyrazol-1-ylethylamino)propanimidamide
SMILESCC(NCCn1cccn1)C(N)=NO
InChIInChI=1S/C8H15N5O/c1-7(8(9)12-14)10-4-6-13-5-2-3-11-13/h2-3,5,7,10,14H,4,6H2,1H3,(H2,9,12)
InChIKeyHZTLKFMWMJOAEF-UHFFFAOYSA-N
XLogP-0.39
TPSA88.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
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

3-(2-pyrazol-1-ylethylamino)butanamide
CID 115676497
2-methyl-N-(2-pyrazol-1-ylethyl)pentan-3-amine
CID 61459650
1-iodo-3-methyl-N-(2-pyrazol-1-ylethyl)butan-2-amine
CID 107859401
4-methyl-3-(2-pyrazol-1-ylethylamino)pentan-1-ol
CID 104891912
2-methyl-3-(2-pyrazol-1-ylethylamino)butan-2-ol
CID 65337680
N-pentyl-2-(2-pyrazol-1-ylethylamino)propanamide
CID 54951591
1-chloro-N-(2-pyrazol-1-ylethyl)propan-2-amine
CID 65025560
N-(2-pyrazol-1-ylethyl)heptan-4-amine
CID 61460010
2-(3-methylbutyl)-1-(2-pyrazol-1-ylethyl)guanidine
CID 111074805
1-(2-pyrazol-1-ylethylamino)propan-2-ol
CID 61463069
1-butan-2-yl-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide
CID 110920836
N-propyl-2-(3-pyrazol-1-ylpropylamino)propanamide
CID 113223084

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(2-pyrazol-1-ylethylamino)propanimidamide?
The IUPAC name of N'-hydroxy-2-(2-pyrazol-1-ylethylamino)propanimidamide (CID 77031329) is N'-hydroxy-2-(2-pyrazol-1-ylethylamino)propanimidamide.
What is the SMILES notation for N'-hydroxy-2-(2-pyrazol-1-ylethylamino)propanimidamide?
The canonical SMILES for N'-hydroxy-2-(2-pyrazol-1-ylethylamino)propanimidamide is CC(NCCn1cccn1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-(2-pyrazol-1-ylethylamino)propanimidamide?
The InChIKey is HZTLKFMWMJOAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-7(8(9)12-14)10-4-6-13-5-2-3-11-13/h2-3,5,7,10,14H,4,6H2,1H3,(H2,9,12).
What are the key properties of N'-hydroxy-2-(2-pyrazol-1-ylethylamino)propanimidamide?
N'-hydroxy-2-(2-pyrazol-1-ylethylamino)propanimidamide has a molecular weight of 197.24 g/mol, XLogP of -0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(2-pyrazol-1-ylethylamino)propanimidamide is sourced from PubChem (CID 77031329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).