N'-hydroxy-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-phenylpropanimidamide

C15H21N5O — CID 76949048

IUPACN'-hydroxy-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-phenylpropanimidamide
SMILESCN(Cc1cnn(C)c1)C(CC(N)=NO)c1ccccc1
InChIInChI=1S/C15H21N5O/c1-19(10-12-9-17-20(2)11-12)14(8-15(16)18-21)13-6-4-3-5-7-13/h3-7,9,11,14,21H,8,10H2,1-2H3,(H2,16,18)
InChIKeyTZGFLBZOEXJHQA-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.73
Rot. Bonds6

About N'-hydroxy-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-phenylpropanimidamide

N'-hydroxy-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-phenylpropanimidamide (PubChem CID 76949048) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is N'-hydroxy-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-phenylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-phenylpropanimidamide
PubChem CID76949048
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC NameN'-hydroxy-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-phenylpropanimidamide
SMILESCN(Cc1cnn(C)c1)C(CC(N)=NO)c1ccccc1
InChIInChI=1S/C15H21N5O/c1-19(10-12-9-17-20(2)11-12)14(8-15(16)18-21)13-6-4-3-5-7-13/h3-7,9,11,14,21H,8,10H2,1-2H3,(H2,16,18)
InChIKeyTZGFLBZOEXJHQA-UHFFFAOYSA-N
XLogP1.73
TPSA79.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.73
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'}

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Related Compounds

1-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 61438648
N-methyl-1-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 61438129
1-[3-(difluoromethyl)phenyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 115526821
N'-hydroxy-3-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]propanimidamide
CID 62126180
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-phenylpropan-1-one
CID 60681815
3-[2-ethoxyethyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide
CID 81055642
1-(2,6-dichlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 61438741
3-[cyclohexyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide
CID 76949207
2,2-dimethyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-phenylpropan-1-ol
CID 63193910
(2R)-2-(3-ethylphenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetic acid
CID 97204167
1-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 97314007
1-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 97314006

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-phenylpropanimidamide?
The IUPAC name of N'-hydroxy-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-phenylpropanimidamide (CID 76949048) is N'-hydroxy-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-phenylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-phenylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-phenylpropanimidamide is CN(Cc1cnn(C)c1)C(CC(N)=NO)c1ccccc1.
What is the InChIKey of N'-hydroxy-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-phenylpropanimidamide?
The InChIKey is TZGFLBZOEXJHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-19(10-12-9-17-20(2)11-12)14(8-15(16)18-21)13-6-4-3-5-7-13/h3-7,9,11,14,21H,8,10H2,1-2H3,(H2,16,18).
What are the key properties of N'-hydroxy-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-phenylpropanimidamide?
N'-hydroxy-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-phenylpropanimidamide has a molecular weight of 287.37 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-phenylpropanimidamide is sourced from PubChem (CID 76949048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).