3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-3-phenylpropanimidamide

C14H17ClN4O — CID 76949143

IUPAC3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-3-phenylpropanimidamide
SMILESCc1nn(C(CC(N)=NO)c2ccccc2)c(C)c1Cl
InChIInChI=1S/C14H17ClN4O/c1-9-14(15)10(2)19(17-9)12(8-13(16)18-20)11-6-4-3-5-7-11/h3-7,12,20H,8H2,1-2H3,(H2,16,18)
InChIKeyOBOVHOGNJAJUDL-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.88
Rot. Bonds4

About 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-3-phenylpropanimidamide

3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-3-phenylpropanimidamide (PubChem CID 76949143) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-3-phenylpropanimidamide.

Molecular Properties

Compound Name3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-3-phenylpropanimidamide
PubChem CID76949143
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-3-phenylpropanimidamide
SMILESCc1nn(C(CC(N)=NO)c2ccccc2)c(C)c1Cl
InChIInChI=1S/C14H17ClN4O/c1-9-14(15)10(2)19(17-9)12(8-13(16)18-20)11-6-4-3-5-7-11/h3-7,12,20H,8H2,1-2H3,(H2,16,18)
InChIKeyOBOVHOGNJAJUDL-UHFFFAOYSA-N
XLogP2.88
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.88
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 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-3-phenylpropanimidamide 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

3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-3-phenylpropanimidamide
CID 76949144
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethyl-2-phenylethanamine
CID 55073071
N'-hydroxy-3-phenyl-3-(1,2,4-triazol-1-yl)propanimidamide
CID 55117921
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(2-chlorophenyl)ethanamine
CID 55038887
N'-hydroxy-3-phenyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propanimidamide
CID 76949129
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylethanamine
CID 62131019
2-(2-bromophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanamine
CID 62129333
N'-hydroxy-3-phenyl-3-thiomorpholin-4-ylpropanimidamide
CID 55117730
3-(4,4-dimethylazepan-1-yl)-N'-hydroxy-3-phenylpropanimidamide
CID 77064506
N'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropanimidamide
CID 76949092
3-[ethyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide
CID 76949093
3-(3-ethyl-4-methylpiperazin-1-yl)-N'-hydroxy-3-phenylpropanimidamide
CID 77000776

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-3-phenylpropanimidamide?
The IUPAC name of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-3-phenylpropanimidamide (CID 76949143) is 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-3-phenylpropanimidamide.
What is the SMILES notation for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-3-phenylpropanimidamide?
The canonical SMILES for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-3-phenylpropanimidamide is Cc1nn(C(CC(N)=NO)c2ccccc2)c(C)c1Cl.
What is the InChIKey of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-3-phenylpropanimidamide?
The InChIKey is OBOVHOGNJAJUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-9-14(15)10(2)19(17-9)12(8-13(16)18-20)11-6-4-3-5-7-11/h3-7,12,20H,8H2,1-2H3,(H2,16,18).
What are the key properties of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-3-phenylpropanimidamide?
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-3-phenylpropanimidamide has a molecular weight of 292.77 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-3-phenylpropanimidamide is sourced from PubChem (CID 76949143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).