N'-(3-phenyl-1H-pyrazole-5-carbonyl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide

C22H21N7O2 — CID 43070399

IUPACN'-(3-phenyl-1H-pyrazole-5-carbonyl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide
SMILESCC(C)c1c(C(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)cnn1-c1ccccn1
InChIInChI=1S/C22H21N7O2/c1-14(2)20-16(13-24-29(20)19-10-6-7-11-23-19)21(30)27-28-22(31)18-12-17(25-26-18)15-8-4-3-5-9-15/h3-14H,1-2H3,(H,25,26)(H,27,30)(H,28,31)
InChIKeyFQPALGBLBPYTBO-UHFFFAOYSA-N
MW415.46 g/mol
LogP2.86
Rot. Bonds5

About N'-(3-phenyl-1H-pyrazole-5-carbonyl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide

N'-(3-phenyl-1H-pyrazole-5-carbonyl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide (PubChem CID 43070399) has the molecular formula C22H21N7O2 and a molecular weight of 415.46 g/mol. Its IUPAC name is N'-(3-phenyl-1H-pyrazole-5-carbonyl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(3-phenyl-1H-pyrazole-5-carbonyl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide
PubChem CID43070399
Molecular FormulaC22H21N7O2
Molecular Weight415.46 g/mol
Exact Mass415.18
IUPAC NameN'-(3-phenyl-1H-pyrazole-5-carbonyl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide
SMILESCC(C)c1c(C(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)cnn1-c1ccccn1
InChIInChI=1S/C22H21N7O2/c1-14(2)20-16(13-24-29(20)19-10-6-7-11-23-19)21(30)27-28-22(31)18-12-17(25-26-18)15-8-4-3-5-9-15/h3-14H,1-2H3,(H,25,26)(H,27,30)(H,28,31)
InChIKeyFQPALGBLBPYTBO-UHFFFAOYSA-N
XLogP2.86
TPSA117.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 52.86
H-Bond Donors ≤ 53
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'-(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)quinoline-2-carbohydrazide
CID 46426896
N-cyclopent-3-en-1-yl-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 126813900
N'-[2-(3-bromophenoxy)propanoyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 55649412
N'-[2-(1H-indol-3-yl)acetyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 46426954
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-(8-methylquinolin-5-yl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55670870
5-methyl-1-pyridin-2-yl-N'-(1H-pyrrole-2-carbonyl)pyrazole-4-carbohydrazide
CID 78861089
N'-(2-hydroxybenzoyl)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 27698464

Frequently Asked Questions

What is the IUPAC name of N'-(3-phenyl-1H-pyrazole-5-carbonyl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide?
The IUPAC name of N'-(3-phenyl-1H-pyrazole-5-carbonyl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide (CID 43070399) is N'-(3-phenyl-1H-pyrazole-5-carbonyl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide.
What is the SMILES notation for N'-(3-phenyl-1H-pyrazole-5-carbonyl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide?
The canonical SMILES for N'-(3-phenyl-1H-pyrazole-5-carbonyl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide is CC(C)c1c(C(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)cnn1-c1ccccn1.
What is the InChIKey of N'-(3-phenyl-1H-pyrazole-5-carbonyl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide?
The InChIKey is FQPALGBLBPYTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O2/c1-14(2)20-16(13-24-29(20)19-10-6-7-11-23-19)21(30)27-28-22(31)18-12-17(25-26-18)15-8-4-3-5-9-15/h3-14H,1-2H3,(H,25,26)(H,27,30)(H,28,31).
What are the key properties of N'-(3-phenyl-1H-pyrazole-5-carbonyl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide?
N'-(3-phenyl-1H-pyrazole-5-carbonyl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide has a molecular weight of 415.46 g/mol, XLogP of 2.86, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-phenyl-1H-pyrazole-5-carbonyl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbohydrazide is sourced from PubChem (CID 43070399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).