2-(1-ethylpyrazol-4-yl)quinoline-4-carbohydrazide

C15H15N5O — CID 7017788

IUPAC2-(1-ethylpyrazol-4-yl)quinoline-4-carbohydrazide
SMILESCCn1cc(-c2cc(C(=O)NN)c3ccccc3n2)cn1
InChIInChI=1S/C15H15N5O/c1-2-20-9-10(8-17-20)14-7-12(15(21)19-16)11-5-3-4-6-13(11)18-14/h3-9H,2,16H2,1H3,(H,19,21)
InChIKeyYNRIQIOICXRRQE-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.72
Rot. Bonds3

About 2-(1-ethylpyrazol-4-yl)quinoline-4-carbohydrazide

2-(1-ethylpyrazol-4-yl)quinoline-4-carbohydrazide (PubChem CID 7017788) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)quinoline-4-carbohydrazide.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)quinoline-4-carbohydrazide
PubChem CID7017788
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name2-(1-ethylpyrazol-4-yl)quinoline-4-carbohydrazide
SMILESCCn1cc(-c2cc(C(=O)NN)c3ccccc3n2)cn1
InChIInChI=1S/C15H15N5O/c1-2-20-9-10(8-17-20)14-7-12(15(21)19-16)11-5-3-4-6-13(11)18-14/h3-9H,2,16H2,1H3,(H,19,21)
InChIKeyYNRIQIOICXRRQE-UHFFFAOYSA-N
XLogP1.72
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518786
2-(1-ethylpyrazol-4-yl)-N-(2-hydroxyphenyl)quinoline-4-carboxamide
CID 19518526
2-(1-ethylpyrazol-4-yl)-N-(1-phenylpropyl)quinoline-4-carboxamide
CID 19518623
N-(1,5-dimethylpyrazol-4-yl)-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518625
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518649
1,3-dihydroisoindol-2-yl-[2-(1-ethylpyrazol-4-yl)quinolin-4-yl]methanone
CID 46990998
N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 92627015
N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518597
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1-ethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518571
2-(1-ethylpyrazol-4-yl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide
CID 19584056
2-(1-ethylpyrazol-4-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]quinoline-4-carboxamide
CID 19518645
2-(1-ethylpyrazol-4-yl)-N-(3-morpholin-4-yl-3-oxopropyl)quinoline-4-carboxamide
CID 46957598

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)quinoline-4-carbohydrazide?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)quinoline-4-carbohydrazide (CID 7017788) is 2-(1-ethylpyrazol-4-yl)quinoline-4-carbohydrazide.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)quinoline-4-carbohydrazide?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)quinoline-4-carbohydrazide is CCn1cc(-c2cc(C(=O)NN)c3ccccc3n2)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)quinoline-4-carbohydrazide?
The InChIKey is YNRIQIOICXRRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-2-20-9-10(8-17-20)14-7-12(15(21)19-16)11-5-3-4-6-13(11)18-14/h3-9H,2,16H2,1H3,(H,19,21).
What are the key properties of 2-(1-ethylpyrazol-4-yl)quinoline-4-carbohydrazide?
2-(1-ethylpyrazol-4-yl)quinoline-4-carbohydrazide has a molecular weight of 281.32 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)quinoline-4-carbohydrazide is sourced from PubChem (CID 7017788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).