N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide

C23H26N6O2 — CID 43070384

IUPACN'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide
SMILESCC(C)c1c(C(=O)NNC(=O)CN2CCCc3ccccc32)cnn1-c1ccccn1
InChIInChI=1S/C23H26N6O2/c1-16(2)22-18(14-25-29(22)20-11-5-6-12-24-20)23(31)27-26-21(30)15-28-13-7-9-17-8-3-4-10-19(17)28/h3-6,8,10-12,14,16H,7,9,13,15H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyNEINDDVHZTXCTJ-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.60
Rot. Bonds5

About N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide

N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide (PubChem CID 43070384) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide
PubChem CID43070384
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC NameN'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide
SMILESCC(C)c1c(C(=O)NNC(=O)CN2CCCc3ccccc32)cnn1-c1ccccn1
InChIInChI=1S/C23H26N6O2/c1-16(2)22-18(14-25-29(22)20-11-5-6-12-24-20)23(31)27-26-21(30)15-28-13-7-9-17-8-3-4-10-19(17)28/h3-6,8,10-12,14,16H,7,9,13,15H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyNEINDDVHZTXCTJ-UHFFFAOYSA-N
XLogP2.60
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]pyrazine-2-carbohydrazide
CID 27680928
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]pyridine-3-carbohydrazide
CID 51109543
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]naphthalene-1-carbohydrazide
CID 26853974
N'-[2-(1H-indol-3-yl)acetyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 46426954
N'-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)-1H-indole-3-carbohydrazide
CID 43070019
N'-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)quinoline-2-carbohydrazide
CID 46426896
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-ethylbenzohydrazide
CID 26853955
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 60532053
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-phenylacetohydrazide
CID 7923496
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-fluorobenzohydrazide
CID 2323657
benzyl 2-[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetate
CID 43069999
N'-(3-phenyl-1H-pyrazole-5-carbonyl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 43070399

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide?
The IUPAC name of N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide (CID 43070384) is N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide.
What is the SMILES notation for N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide?
The canonical SMILES for N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide is CC(C)c1c(C(=O)NNC(=O)CN2CCCc3ccccc32)cnn1-c1ccccn1.
What is the InChIKey of N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide?
The InChIKey is NEINDDVHZTXCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-16(2)22-18(14-25-29(22)20-11-5-6-12-24-20)23(31)27-26-21(30)15-28-13-7-9-17-8-3-4-10-19(17)28/h3-6,8,10-12,14,16H,7,9,13,15H2,1-2H3,(H,26,30)(H,27,31).
What are the key properties of N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide?
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide has a molecular weight of 418.50 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide is sourced from PubChem (CID 43070384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).