2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide

C14H17N5O2 — CID 116801422

IUPAC2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
SMILESCCn1cc(Oc2nc3c(cc2/C(N)=N/O)CCC3)cn1
InChIInChI=1S/C14H17N5O2/c1-2-19-8-10(7-16-19)21-14-11(13(15)18-20)6-9-4-3-5-12(9)17-14/h6-8,20H,2-5H2,1H3,(H2,15,18)
InChIKeyARBWQECUSVCHFO-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.67
Rot. Bonds4

About 2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide

2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide (PubChem CID 116801422) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
PubChem CID116801422
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
SMILESCCn1cc(Oc2nc3c(cc2/C(N)=N/O)CCC3)cn1
InChIInChI=1S/C14H17N5O2/c1-2-19-8-10(7-16-19)21-14-11(13(15)18-20)6-9-4-3-5-12(9)17-14/h6-8,20H,2-5H2,1H3,(H2,15,18)
InChIKeyARBWQECUSVCHFO-UHFFFAOYSA-N
XLogP1.67
TPSA98.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-2-pyridin-3-yloxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 76916481
2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 116801421
N'-hydroxy-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 106597215
N'-hydroxy-2-propoxy-5,6,7,8-tetrahydroquinoline-3-carboximidamide
CID 76916958
N'-hydroxy-2-(2-methylpropoxy)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 76916525
2-(2,2-difluoroethoxy)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 82004477
4-chloro-2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxybenzenecarboximidamide
CID 116801391
2-(4-ethylpiperazin-1-yl)-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 76916651
N'-hydroxy-2-(4-methylpentan-2-yloxy)-5,6,7,8-tetrahydroquinoline-3-carboximidamide
CID 76917058
2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-4-methylpyridine-3-carboximidamide
CID 116801405
2-cyclopentyloxy-N'-hydroxy-5,6,7,8-tetrahydroquinoline-3-carboximidamide
CID 76917027
6-(1-ethylpyrazol-4-yl)oxy-N'-hydroxypyridine-2-carboximidamide
CID 136932336

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide (CID 116801422) is 2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide is CCn1cc(Oc2nc3c(cc2/C(N)=N/O)CCC3)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
The InChIKey is ARBWQECUSVCHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-2-19-8-10(7-16-19)21-14-11(13(15)18-20)6-9-4-3-5-12(9)17-14/h6-8,20H,2-5H2,1H3,(H2,15,18).
What are the key properties of 2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide?
2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide has a molecular weight of 287.32 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide is sourced from PubChem (CID 116801422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).