N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

C24H26N4O2 — CID 110527523

IUPACN-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCC(C)COc1ccccc1/C=N/NC(=O)c1nn(-c2ccccc2)c2c1CCC2
InChIInChI=1S/C24H26N4O2/c1-17(2)16-30-22-14-7-6-9-18(22)15-25-26-24(29)23-20-12-8-13-21(20)28(27-23)19-10-4-3-5-11-19/h3-7,9-11,14-15,17H,8,12-13,16H2,1-2H3,(H,26,29)/b25-15+
InChIKeyBOXZYZMDEQGCMQ-MFKUBSTISA-N
MW402.50 g/mol
LogP4.16
Rot. Bonds7

About N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 110527523) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID110527523
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC NameN-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCC(C)COc1ccccc1/C=N/NC(=O)c1nn(-c2ccccc2)c2c1CCC2
InChIInChI=1S/C24H26N4O2/c1-17(2)16-30-22-14-7-6-9-18(22)15-25-26-24(29)23-20-12-8-13-21(20)28(27-23)19-10-4-3-5-11-19/h3-7,9-11,14-15,17H,8,12-13,16H2,1-2H3,(H,26,29)/b25-15+
InChIKeyBOXZYZMDEQGCMQ-MFKUBSTISA-N
XLogP4.16
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)hydrazinylidene]methyl]benzoic acid
CID 110527581
N-[(E)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110527492
1-phenyl-N-[(E)-(3-propoxyphenyl)methylideneamino]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110527502
N-[(E)-(4-tert-butylphenyl)methylideneamino]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110527585
1-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110527620
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110527608
N-[(Z)-[2-(2-methylpropoxy)phenyl]methylideneamino]pyridine-3-carboxamide
CID 110510127
1-phenyl-N-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 110374225
2-[2-[(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylhydrazinylidene)methyl]phenoxy]acetic acid
CID 2039528
N'-benzoyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide
CID 46682483
N-(3-methoxypropyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 30098859
N-benzyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 17492126

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 110527523) is N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is CC(C)COc1ccccc1/C=N/NC(=O)c1nn(-c2ccccc2)c2c1CCC2.
What is the InChIKey of N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is BOXZYZMDEQGCMQ-MFKUBSTISA-N. The full InChI is InChI=1S/C24H26N4O2/c1-17(2)16-30-22-14-7-6-9-18(22)15-25-26-24(29)23-20-12-8-13-21(20)28(27-23)19-10-4-3-5-11-19/h3-7,9-11,14-15,17H,8,12-13,16H2,1-2H3,(H,26,29)/b25-15+.
What are the key properties of N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 110527523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).