N'-hydroxy-2-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanimidamide

C14H18N4O2 — CID 103003007

IUPACN'-hydroxy-2-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanimidamide
SMILESCn1nccc1CCOc1ccc(C/C(N)=N/O)cc1
InChIInChI=1S/C14H18N4O2/c1-18-12(6-8-16-18)7-9-20-13-4-2-11(3-5-13)10-14(15)17-19/h2-6,8,19H,7,9-10H2,1H3,(H2,15,17)
InChIKeyFKFQFUNQNATFTM-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.33
Rot. Bonds6

About N'-hydroxy-2-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanimidamide

N'-hydroxy-2-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanimidamide (PubChem CID 103003007) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N'-hydroxy-2-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanimidamide
PubChem CID103003007
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN'-hydroxy-2-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanimidamide
SMILESCn1nccc1CCOc1ccc(C/C(N)=N/O)cc1
InChIInChI=1S/C14H18N4O2/c1-18-12(6-8-16-18)7-9-20-13-4-2-11(3-5-13)10-14(15)17-19/h2-6,8,19H,7,9-10H2,1H3,(H2,15,17)
InChIKeyFKFQFUNQNATFTM-UHFFFAOYSA-N
XLogP1.33
TPSA85.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.33
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

4-[2-(2-methylpyrazol-3-yl)ethoxy]benzaldehyde
CID 103002817
(1S)-1-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]propan-1-amine
CID 102999817
4-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]but-3-yn-1-ol
CID 103012792
3-methyl-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenol
CID 107680067
(NZ)-N-[1-[4-methyl-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethylidene]hydroxylamine
CID 103003106
N'-hydroxy-3-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]butanimidamide
CID 103002979
[2-fluoro-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]boronic acid
CID 103003921
2-[4-[(4-fluorophenyl)methoxy]phenyl]-N'-hydroxyethanimidamide
CID 24692353
N'-hydroxy-3-[2-(2-methylpyrazol-3-yl)ethylamino]pentanimidamide
CID 103007279
2-[2-(2-methylpyrazol-3-yl)ethoxy]aniline
CID 102999319
N'-hydroxy-2-[4-(pyridin-2-ylmethoxy)phenyl]ethanimidamide
CID 24703645
2-[4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine
CID 103013023

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanimidamide (CID 103003007) is N'-hydroxy-2-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanimidamide is Cn1nccc1CCOc1ccc(C/C(N)=N/O)cc1.
What is the InChIKey of N'-hydroxy-2-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanimidamide?
The InChIKey is FKFQFUNQNATFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-18-12(6-8-16-18)7-9-20-13-4-2-11(3-5-13)10-14(15)17-19/h2-6,8,19H,7,9-10H2,1H3,(H2,15,17).
What are the key properties of N'-hydroxy-2-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanimidamide?
N'-hydroxy-2-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanimidamide has a molecular weight of 274.32 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanimidamide is sourced from PubChem (CID 103003007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).