N'-hydroxy-2-methyl-3-(4-phenylpyrazol-1-yl)propanimidamide

C13H16N4O — CID 76948882

IUPACN'-hydroxy-2-methyl-3-(4-phenylpyrazol-1-yl)propanimidamide
SMILESCC(Cn1cc(-c2ccccc2)cn1)C(N)=NO
InChIInChI=1S/C13H16N4O/c1-10(13(14)16-18)8-17-9-12(7-15-17)11-5-3-2-4-6-11/h2-7,9-10,18H,8H2,1H3,(H2,14,16)
InChIKeyWRGOLBFTSNNIJS-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.93
Rot. Bonds4

About N'-hydroxy-2-methyl-3-(4-phenylpyrazol-1-yl)propanimidamide

N'-hydroxy-2-methyl-3-(4-phenylpyrazol-1-yl)propanimidamide (PubChem CID 76948882) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-3-(4-phenylpyrazol-1-yl)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-3-(4-phenylpyrazol-1-yl)propanimidamide
PubChem CID76948882
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN'-hydroxy-2-methyl-3-(4-phenylpyrazol-1-yl)propanimidamide
SMILESCC(Cn1cc(-c2ccccc2)cn1)C(N)=NO
InChIInChI=1S/C13H16N4O/c1-10(13(14)16-18)8-17-9-12(7-15-17)11-5-3-2-4-6-11/h2-7,9-10,18H,8H2,1H3,(H2,14,16)
InChIKeyWRGOLBFTSNNIJS-UHFFFAOYSA-N
XLogP1.93
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.93
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-methyl-3-(4-phenylpyrazol-1-yl)propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-3-(4-phenylpyrazol-1-yl)propanimidamide (CID 76948882) is N'-hydroxy-2-methyl-3-(4-phenylpyrazol-1-yl)propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-3-(4-phenylpyrazol-1-yl)propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-3-(4-phenylpyrazol-1-yl)propanimidamide is CC(Cn1cc(-c2ccccc2)cn1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-methyl-3-(4-phenylpyrazol-1-yl)propanimidamide?
The InChIKey is WRGOLBFTSNNIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-10(13(14)16-18)8-17-9-12(7-15-17)11-5-3-2-4-6-11/h2-7,9-10,18H,8H2,1H3,(H2,14,16).
What are the key properties of N'-hydroxy-2-methyl-3-(4-phenylpyrazol-1-yl)propanimidamide?
N'-hydroxy-2-methyl-3-(4-phenylpyrazol-1-yl)propanimidamide has a molecular weight of 244.30 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-3-(4-phenylpyrazol-1-yl)propanimidamide is sourced from PubChem (CID 76948882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).