N'-hydroxy-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanimidamide

C9H13F3N4O — CID 19614626

IUPACN'-hydroxy-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanimidamide
SMILESCc1cc(C(F)(F)F)nn1CC(C)/C(N)=N\O
InChIInChI=1S/C9H13F3N4O/c1-5(8(13)15-17)4-16-6(2)3-7(14-16)9(10,11)12/h3,5,17H,4H2,1-2H3,(H2,13,15)
InChIKeyWJSFIUBTHPIDCP-UHFFFAOYSA-N
MW250.22 g/mol
LogP1.59
Rot. Bonds3

About N'-hydroxy-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanimidamide

N'-hydroxy-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanimidamide (PubChem CID 19614626) has the molecular formula C9H13F3N4O and a molecular weight of 250.22 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanimidamide
PubChem CID19614626
Molecular FormulaC9H13F3N4O
Molecular Weight250.22 g/mol
Exact Mass250.10
IUPAC NameN'-hydroxy-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanimidamide
SMILESCc1cc(C(F)(F)F)nn1CC(C)/C(N)=N\O
InChIInChI=1S/C9H13F3N4O/c1-5(8(13)15-17)4-16-6(2)3-7(14-16)9(10,11)12/h3,5,17H,4H2,1-2H3,(H2,13,15)
InChIKeyWJSFIUBTHPIDCP-UHFFFAOYSA-N
XLogP1.59
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 51.59
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'}

Analyze N'-hydroxy-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-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

Related Compounds

(2S)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
CID 7017099
N'-hydroxy-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanimidamide
CID 66509602
2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 45154034
(2R)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 35527896
N-(2-hydroxyphenyl)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19566347
(2S)-2-methyl-N-(4-methylcyclohexyl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 51391361
N-(3,4-dichlorophenyl)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19566376
N-(2-adamantyl)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 4868032
(2S)-1-[(5R)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one
CID 40641965
2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-phenylpropyl)propanamide
CID 19566440
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19566415
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-2-methylpropanethioamide
CID 19616581

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanimidamide (CID 19614626) is N'-hydroxy-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanimidamide is Cc1cc(C(F)(F)F)nn1CC(C)/C(N)=N\O.
What is the InChIKey of N'-hydroxy-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanimidamide?
The InChIKey is WJSFIUBTHPIDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O/c1-5(8(13)15-17)4-16-6(2)3-7(14-16)9(10,11)12/h3,5,17H,4H2,1-2H3,(H2,13,15).
What are the key properties of N'-hydroxy-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanimidamide?
N'-hydroxy-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanimidamide has a molecular weight of 250.22 g/mol, XLogP of 1.59, 3 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-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanimidamide is sourced from PubChem (CID 19614626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).