N'-hydroxy-3-[2-methylpropyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]propanimidamide

C13H25N5O — CID 103002963

IUPACN'-hydroxy-3-[2-methylpropyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]propanimidamide
SMILESCC(C)CN(CCC(N)=NO)CCc1cnn(C)c1
InChIInChI=1S/C13H25N5O/c1-11(2)9-18(7-5-13(14)16-19)6-4-12-8-15-17(3)10-12/h8,10-11,19H,4-7,9H2,1-3H3,(H2,14,16)
InChIKeyJSKNVXAZGKZMFH-UHFFFAOYSA-N
MW267.38 g/mol
LogP1.06
Rot. Bonds8

About N'-hydroxy-3-[2-methylpropyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]propanimidamide

N'-hydroxy-3-[2-methylpropyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]propanimidamide (PubChem CID 103002963) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is N'-hydroxy-3-[2-methylpropyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[2-methylpropyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]propanimidamide
PubChem CID103002963
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC NameN'-hydroxy-3-[2-methylpropyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]propanimidamide
SMILESCC(C)CN(CCC(N)=NO)CCc1cnn(C)c1
InChIInChI=1S/C13H25N5O/c1-11(2)9-18(7-5-13(14)16-19)6-4-12-8-15-17(3)10-12/h8,10-11,19H,4-7,9H2,1-3H3,(H2,14,16)
InChIKeyJSKNVXAZGKZMFH-UHFFFAOYSA-N
XLogP1.06
TPSA79.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 51.06
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

N'-hydroxy-3-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]propanimidamide
CID 62126180
N'-hydroxy-3-[2-(1-methylimidazol-2-yl)ethyl-(2-methylpropyl)amino]propanimidamide
CID 114528083
2-[2-methylpropyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 132968617
3-[cyclopropyl-[(1-methylpyrazol-4-yl)methyl]amino]-N'-hydroxypropanimidamide
CID 76936306
N'-hydroxy-4-[2-(1-methylpyrazol-4-yl)ethylamino]butanimidamide
CID 80683127
N'-hydroxy-2-[2-(1-methylpyrazol-4-yl)ethylamino]ethanimidamide
CID 80683125
N'-hydroxy-4-[(1-methylpyrazol-4-yl)methylamino]butanimidamide
CID 77031221
2-[2-(1-methylpyrazol-4-yl)ethyl-propylamino]ethanethioamide
CID 103002627
N'-hydroxy-5-[(1-methylpyrazol-4-yl)methylamino]pentanimidamide
CID 77030608
3-[(4-fluorophenyl)methyl-(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 76917283
N'-hydroxy-3-[2-methylpropyl(nonyl)amino]propanimidamide
CID 76997716
N-(3-amino-3-hydroxyiminopropyl)-1,5-dimethyl-N-(2-methylpropyl)pyrazole-4-carboxamide
CID 76917312

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[2-methylpropyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[2-methylpropyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]propanimidamide (CID 103002963) is N'-hydroxy-3-[2-methylpropyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[2-methylpropyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[2-methylpropyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]propanimidamide is CC(C)CN(CCC(N)=NO)CCc1cnn(C)c1.
What is the InChIKey of N'-hydroxy-3-[2-methylpropyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]propanimidamide?
The InChIKey is JSKNVXAZGKZMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-11(2)9-18(7-5-13(14)16-19)6-4-12-8-15-17(3)10-12/h8,10-11,19H,4-7,9H2,1-3H3,(H2,14,16).
What are the key properties of N'-hydroxy-3-[2-methylpropyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]propanimidamide?
N'-hydroxy-3-[2-methylpropyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]propanimidamide has a molecular weight of 267.38 g/mol, XLogP of 1.06, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[2-methylpropyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]propanimidamide is sourced from PubChem (CID 103002963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).