N'-[2-(2-cyanophenoxy)acetyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide

C22H19N5O3 — CID 24586964

IUPACN'-[2-(2-cyanophenoxy)acetyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide
SMILESN#Cc1ccccc1OCC(=O)NNC(=O)c1nn(-c2ccccc2)c2c1CCC2
InChIInChI=1S/C22H19N5O3/c23-13-15-7-4-5-12-19(15)30-14-20(28)24-25-22(29)21-17-10-6-11-18(17)27(26-21)16-8-2-1-3-9-16/h1-5,7-9,12H,6,10-11,14H2,(H,24,28)(H,25,29)
InChIKeyLJNCZYJFBVBROL-UHFFFAOYSA-N
MW401.43 g/mol
LogP2.07
Rot. Bonds5

About N'-[2-(2-cyanophenoxy)acetyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide

N'-[2-(2-cyanophenoxy)acetyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide (PubChem CID 24586964) has the molecular formula C22H19N5O3 and a molecular weight of 401.43 g/mol. Its IUPAC name is N'-[2-(2-cyanophenoxy)acetyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-cyanophenoxy)acetyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide
PubChem CID24586964
Molecular FormulaC22H19N5O3
Molecular Weight401.43 g/mol
Exact Mass401.15
IUPAC NameN'-[2-(2-cyanophenoxy)acetyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide
SMILESN#Cc1ccccc1OCC(=O)NNC(=O)c1nn(-c2ccccc2)c2c1CCC2
InChIInChI=1S/C22H19N5O3/c23-13-15-7-4-5-12-19(15)30-14-20(28)24-25-22(29)21-17-10-6-11-18(17)27(26-21)16-8-2-1-3-9-16/h1-5,7-9,12H,6,10-11,14H2,(H,24,28)(H,25,29)
InChIKeyLJNCZYJFBVBROL-UHFFFAOYSA-N
XLogP2.07
TPSA109.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 52.07
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-(2-ethoxyphenoxy)acetyl]-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carbohydrazide
CID 24605294
N'-benzoyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide
CID 46682483
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
CID 46680843
1-phenyl-N'-(pyrazine-2-carbonyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide
CID 24618570
N'-(2-fluorobenzoyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide
CID 17421166
N-benzyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 17492126
2-[(1-phenyl-4,5,6,7-tetrahydroindazole-3-carbonyl)amino]acetic acid
CID 175587571
N-(3-methoxypropyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 30098859
1-phenyl-N'-pyrimidin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carbohydrazide
CID 51119740
1-phenyl-N-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 110374225
N'-(2-methylfuran-3-carbonyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide
CID 46680465
N-[2-(3-amino-3-oxopropoxy)phenyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55768565

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-cyanophenoxy)acetyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide?
The IUPAC name of N'-[2-(2-cyanophenoxy)acetyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide (CID 24586964) is N'-[2-(2-cyanophenoxy)acetyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide.
What is the SMILES notation for N'-[2-(2-cyanophenoxy)acetyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide?
The canonical SMILES for N'-[2-(2-cyanophenoxy)acetyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide is N#Cc1ccccc1OCC(=O)NNC(=O)c1nn(-c2ccccc2)c2c1CCC2.
What is the InChIKey of N'-[2-(2-cyanophenoxy)acetyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide?
The InChIKey is LJNCZYJFBVBROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3/c23-13-15-7-4-5-12-19(15)30-14-20(28)24-25-22(29)21-17-10-6-11-18(17)27(26-21)16-8-2-1-3-9-16/h1-5,7-9,12H,6,10-11,14H2,(H,24,28)(H,25,29).
What are the key properties of N'-[2-(2-cyanophenoxy)acetyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide?
N'-[2-(2-cyanophenoxy)acetyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide has a molecular weight of 401.43 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-cyanophenoxy)acetyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide is sourced from PubChem (CID 24586964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).