3-[N-[(1-ethylpyrazol-4-yl)methyl]anilino]-N'-hydroxypropanimidamide

C15H21N5O — CID 76936298

IUPAC3-[N-[(1-ethylpyrazol-4-yl)methyl]anilino]-N'-hydroxypropanimidamide
SMILESCCn1cc(CN(CCC(N)=NO)c2ccccc2)cn1
InChIInChI=1S/C15H21N5O/c1-2-20-12-13(10-17-20)11-19(9-8-15(16)18-21)14-6-4-3-5-7-14/h3-7,10,12,21H,2,8-9,11H2,1H3,(H2,16,18)
InChIKeyGOOUXHXSAXRCFL-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.05
Rot. Bonds7

About 3-[N-[(1-ethylpyrazol-4-yl)methyl]anilino]-N'-hydroxypropanimidamide

3-[N-[(1-ethylpyrazol-4-yl)methyl]anilino]-N'-hydroxypropanimidamide (PubChem CID 76936298) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 3-[N-[(1-ethylpyrazol-4-yl)methyl]anilino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[N-[(1-ethylpyrazol-4-yl)methyl]anilino]-N'-hydroxypropanimidamide
PubChem CID76936298
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name3-[N-[(1-ethylpyrazol-4-yl)methyl]anilino]-N'-hydroxypropanimidamide
SMILESCCn1cc(CN(CCC(N)=NO)c2ccccc2)cn1
InChIInChI=1S/C15H21N5O/c1-2-20-12-13(10-17-20)11-19(9-8-15(16)18-21)14-6-4-3-5-7-14/h3-7,10,12,21H,2,8-9,11H2,1H3,(H2,16,18)
InChIKeyGOOUXHXSAXRCFL-UHFFFAOYSA-N
XLogP2.05
TPSA79.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[N-[(1-ethylpyrazol-4-yl)methyl]anilino]-N'-hydroxypropanimidamide 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

2-[N-[(1-ethylpyrazol-4-yl)methyl]anilino]acetic acid
CID 62128174
2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N'-hydroxyethanimidamide
CID 76936309
N'-hydroxy-3-[N-(pyridin-2-ylmethyl)anilino]propanimidamide
CID 24708680
N'-benzyl-N'-[(1-ethylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62127057
N'-hydroxy-3-[N-(2-methoxyethyl)anilino]propanimidamide
CID 24710523
2-[N-[(1-methylpyrazol-4-yl)methyl]anilino]ethanol
CID 110881469
2-[(1-ethylpyrazol-4-yl)methyl-(2-hydroxyethyl)amino]ethanol
CID 62128238
N'-hydroxy-3-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]propanimidamide
CID 62126180
N'-hydroxy-3-[N-(2-propan-2-ylsulfonylethyl)anilino]propanimidamide
CID 106725316
3-(N-ethyl-4-methylanilino)-N'-hydroxypropanimidamide
CID 76931165
3-[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]amino]-N'-hydroxypropanimidamide
CID 76936306
ethyl 3-[(1-ethylpyrazol-4-yl)methyl-methylamino]propanoate
CID 55040533

Frequently Asked Questions

What is the IUPAC name of 3-[N-[(1-ethylpyrazol-4-yl)methyl]anilino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[N-[(1-ethylpyrazol-4-yl)methyl]anilino]-N'-hydroxypropanimidamide (CID 76936298) is 3-[N-[(1-ethylpyrazol-4-yl)methyl]anilino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[N-[(1-ethylpyrazol-4-yl)methyl]anilino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[N-[(1-ethylpyrazol-4-yl)methyl]anilino]-N'-hydroxypropanimidamide is CCn1cc(CN(CCC(N)=NO)c2ccccc2)cn1.
What is the InChIKey of 3-[N-[(1-ethylpyrazol-4-yl)methyl]anilino]-N'-hydroxypropanimidamide?
The InChIKey is GOOUXHXSAXRCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-2-20-12-13(10-17-20)11-19(9-8-15(16)18-21)14-6-4-3-5-7-14/h3-7,10,12,21H,2,8-9,11H2,1H3,(H2,16,18).
What are the key properties of 3-[N-[(1-ethylpyrazol-4-yl)methyl]anilino]-N'-hydroxypropanimidamide?
3-[N-[(1-ethylpyrazol-4-yl)methyl]anilino]-N'-hydroxypropanimidamide has a molecular weight of 287.37 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-[(1-ethylpyrazol-4-yl)methyl]anilino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 76936298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).