N'-hydroxy-5-(5-methylpyrazol-1-yl)pentanimidamide

C9H16N4O — CID 77037664

IUPACN'-hydroxy-5-(5-methylpyrazol-1-yl)pentanimidamide
SMILESCc1ccnn1CCCCC(N)=NO
InChIInChI=1S/C9H16N4O/c1-8-5-6-11-13(8)7-3-2-4-9(10)12-14/h5-6,14H,2-4,7H2,1H3,(H2,10,12)
InChIKeyLNDOOSHSVVYMKC-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.11
Rot. Bonds5

About N'-hydroxy-5-(5-methylpyrazol-1-yl)pentanimidamide

N'-hydroxy-5-(5-methylpyrazol-1-yl)pentanimidamide (PubChem CID 77037664) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is N'-hydroxy-5-(5-methylpyrazol-1-yl)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-(5-methylpyrazol-1-yl)pentanimidamide
PubChem CID77037664
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC NameN'-hydroxy-5-(5-methylpyrazol-1-yl)pentanimidamide
SMILESCc1ccnn1CCCCC(N)=NO
InChIInChI=1S/C9H16N4O/c1-8-5-6-11-13(8)7-3-2-4-9(10)12-14/h5-6,14H,2-4,7H2,1H3,(H2,10,12)
InChIKeyLNDOOSHSVVYMKC-UHFFFAOYSA-N
XLogP1.11
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-(5-methylpyrazol-1-yl)pentanimidamide?
The IUPAC name of N'-hydroxy-5-(5-methylpyrazol-1-yl)pentanimidamide (CID 77037664) is N'-hydroxy-5-(5-methylpyrazol-1-yl)pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-(5-methylpyrazol-1-yl)pentanimidamide?
The canonical SMILES for N'-hydroxy-5-(5-methylpyrazol-1-yl)pentanimidamide is Cc1ccnn1CCCCC(N)=NO.
What is the InChIKey of N'-hydroxy-5-(5-methylpyrazol-1-yl)pentanimidamide?
The InChIKey is LNDOOSHSVVYMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-8-5-6-11-13(8)7-3-2-4-9(10)12-14/h5-6,14H,2-4,7H2,1H3,(H2,10,12).
What are the key properties of N'-hydroxy-5-(5-methylpyrazol-1-yl)pentanimidamide?
N'-hydroxy-5-(5-methylpyrazol-1-yl)pentanimidamide has a molecular weight of 196.25 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-(5-methylpyrazol-1-yl)pentanimidamide is sourced from PubChem (CID 77037664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).