N'-hydroxy-2,2-dimethyl-5-(4-phenylpyrazol-1-yl)pentanimidamide

C16H22N4O — CID 77063140

IUPACN'-hydroxy-2,2-dimethyl-5-(4-phenylpyrazol-1-yl)pentanimidamide
SMILESCC(C)(CCCn1cc(-c2ccccc2)cn1)C(N)=NO
InChIInChI=1S/C16H22N4O/c1-16(2,15(17)19-21)9-6-10-20-12-14(11-18-20)13-7-4-3-5-8-13/h3-5,7-8,11-12,21H,6,9-10H2,1-2H3,(H2,17,19)
InChIKeyHRURIRBBYAMGBD-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.10
Rot. Bonds6

About N'-hydroxy-2,2-dimethyl-5-(4-phenylpyrazol-1-yl)pentanimidamide

N'-hydroxy-2,2-dimethyl-5-(4-phenylpyrazol-1-yl)pentanimidamide (PubChem CID 77063140) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-5-(4-phenylpyrazol-1-yl)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-5-(4-phenylpyrazol-1-yl)pentanimidamide
PubChem CID77063140
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN'-hydroxy-2,2-dimethyl-5-(4-phenylpyrazol-1-yl)pentanimidamide
SMILESCC(C)(CCCn1cc(-c2ccccc2)cn1)C(N)=NO
InChIInChI=1S/C16H22N4O/c1-16(2,15(17)19-21)9-6-10-20-12-14(11-18-20)13-7-4-3-5-8-13/h3-5,7-8,11-12,21H,6,9-10H2,1-2H3,(H2,17,19)
InChIKeyHRURIRBBYAMGBD-UHFFFAOYSA-N
XLogP3.10
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.10
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-5-(4-phenylpyrazol-1-yl)pentanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-5-(4-phenylpyrazol-1-yl)pentanimidamide (CID 77063140) is N'-hydroxy-2,2-dimethyl-5-(4-phenylpyrazol-1-yl)pentanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-5-(4-phenylpyrazol-1-yl)pentanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-5-(4-phenylpyrazol-1-yl)pentanimidamide is CC(C)(CCCn1cc(-c2ccccc2)cn1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-5-(4-phenylpyrazol-1-yl)pentanimidamide?
The InChIKey is HRURIRBBYAMGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-16(2,15(17)19-21)9-6-10-20-12-14(11-18-20)13-7-4-3-5-8-13/h3-5,7-8,11-12,21H,6,9-10H2,1-2H3,(H2,17,19).
What are the key properties of N'-hydroxy-2,2-dimethyl-5-(4-phenylpyrazol-1-yl)pentanimidamide?
N'-hydroxy-2,2-dimethyl-5-(4-phenylpyrazol-1-yl)pentanimidamide has a molecular weight of 286.38 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-5-(4-phenylpyrazol-1-yl)pentanimidamide is sourced from PubChem (CID 77063140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).