N'-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)quinoline-2-carbohydrazide

C22H20N6O2 — CID 46426896

IUPACN'-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)quinoline-2-carbohydrazide
SMILESCC(C)c1c(C(=O)NNC(=O)c2ccc3ccccc3n2)cnn1-c1ccccn1
InChIInChI=1S/C22H20N6O2/c1-14(2)20-16(13-24-28(20)19-9-5-6-12-23-19)21(29)26-27-22(30)18-11-10-15-7-3-4-8-17(15)25-18/h3-14H,1-2H3,(H,26,29)(H,27,30)
InChIKeyWDVYQJVETDEEJY-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.01
Rot. Bonds4

About N'-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)quinoline-2-carbohydrazide

N'-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)quinoline-2-carbohydrazide (PubChem CID 46426896) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is N'-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)quinoline-2-carbohydrazide.

Molecular Properties

Compound NameN'-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)quinoline-2-carbohydrazide
PubChem CID46426896
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC NameN'-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)quinoline-2-carbohydrazide
SMILESCC(C)c1c(C(=O)NNC(=O)c2ccc3ccccc3n2)cnn1-c1ccccn1
InChIInChI=1S/C22H20N6O2/c1-14(2)20-16(13-24-28(20)19-9-5-6-12-23-19)21(29)26-27-22(30)18-11-10-15-7-3-4-8-17(15)25-18/h3-14H,1-2H3,(H,26,29)(H,27,30)
InChIKeyWDVYQJVETDEEJY-UHFFFAOYSA-N
XLogP3.01
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.01
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'-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)-1H-indole-3-carbohydrazide
CID 43070019
ethyl N-[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]carbamate
CID 46429270
N-cyclopent-3-en-1-yl-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 126813900
N'-(3-phenyl-1H-pyrazole-5-carbonyl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 43070399
N'-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]quinoline-2-carbohydrazide
CID 35066330
N'-[2-(1H-indol-3-yl)acetyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 46426954
N'-[2-(3-bromophenoxy)propanoyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 55649412
N-(5-chloro-1-methylpyrazol-4-yl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 126834415
N,N-diethyl-3-[[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 43070233
benzyl 2-[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]acetate
CID 43069999
N-[4-(dimethylamino)-3-methylphenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55672662
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 43070384

Frequently Asked Questions

What is the IUPAC name of N'-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)quinoline-2-carbohydrazide?
The IUPAC name of N'-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)quinoline-2-carbohydrazide (CID 46426896) is N'-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)quinoline-2-carbohydrazide.
What is the SMILES notation for N'-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)quinoline-2-carbohydrazide?
The canonical SMILES for N'-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)quinoline-2-carbohydrazide is CC(C)c1c(C(=O)NNC(=O)c2ccc3ccccc3n2)cnn1-c1ccccn1.
What is the InChIKey of N'-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)quinoline-2-carbohydrazide?
The InChIKey is WDVYQJVETDEEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2/c1-14(2)20-16(13-24-28(20)19-9-5-6-12-23-19)21(29)26-27-22(30)18-11-10-15-7-3-4-8-17(15)25-18/h3-14H,1-2H3,(H,26,29)(H,27,30).
What are the key properties of N'-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)quinoline-2-carbohydrazide?
N'-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)quinoline-2-carbohydrazide has a molecular weight of 400.44 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)quinoline-2-carbohydrazide is sourced from PubChem (CID 46426896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).