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

C22H22N4O3 — CID 55768565

IUPACN-[2-(3-amino-3-oxopropoxy)phenyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESNC(=O)CCOc1ccccc1NC(=O)c1nn(-c2ccccc2)c2c1CCC2
InChIInChI=1S/C22H22N4O3/c23-20(27)13-14-29-19-12-5-4-10-17(19)24-22(28)21-16-9-6-11-18(16)26(25-21)15-7-2-1-3-8-15/h1-5,7-8,10,12H,6,9,11,13-14H2,(H2,23,27)(H,24,28)
InChIKeyHERUZTIPMDCCAJ-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.87
Rot. Bonds7

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

N-[2-(3-amino-3-oxopropoxy)phenyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 55768565) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[2-(3-amino-3-oxopropoxy)phenyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-amino-3-oxopropoxy)phenyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID55768565
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC NameN-[2-(3-amino-3-oxopropoxy)phenyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESNC(=O)CCOc1ccccc1NC(=O)c1nn(-c2ccccc2)c2c1CCC2
InChIInChI=1S/C22H22N4O3/c23-20(27)13-14-29-19-12-5-4-10-17(19)24-22(28)21-16-9-6-11-18(16)26(25-21)15-7-2-1-3-8-15/h1-5,7-8,10,12H,6,9,11,13-14H2,(H2,23,27)(H,24,28)
InChIKeyHERUZTIPMDCCAJ-UHFFFAOYSA-N
XLogP2.87
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethoxyphenyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 17399023
N-[2-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methoxy]phenyl]acetamide
CID 126780198
N-(4-fluoro-2-methylphenyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 24586962
1-(4-fluorophenyl)-N-(2-methoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 24592437
methyl 2-methyl-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)amino]benzoate
CID 25353217
N-(2-chloro-4-fluorophenyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 25490165
N-(2-carbamoylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 134042509
N-(3-methoxypropyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 30098859
N-[3-(2-fluorophenoxy)propyl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 18288305
N-benzyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 17492126
N-[2-(methanesulfonamido)phenyl]-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 51122191
2-[(1-phenyl-4,5,6,7-tetrahydroindazole-3-carbonyl)amino]acetic acid
CID 175587571

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-amino-3-oxopropoxy)phenyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[2-(3-amino-3-oxopropoxy)phenyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 55768565) is N-[2-(3-amino-3-oxopropoxy)phenyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(3-amino-3-oxopropoxy)phenyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(3-amino-3-oxopropoxy)phenyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is NC(=O)CCOc1ccccc1NC(=O)c1nn(-c2ccccc2)c2c1CCC2.
What is the InChIKey of N-[2-(3-amino-3-oxopropoxy)phenyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is HERUZTIPMDCCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c23-20(27)13-14-29-19-12-5-4-10-17(19)24-22(28)21-16-9-6-11-18(16)26(25-21)15-7-2-1-3-8-15/h1-5,7-8,10,12H,6,9,11,13-14H2,(H2,23,27)(H,24,28).
What are the key properties of N-[2-(3-amino-3-oxopropoxy)phenyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
N-[2-(3-amino-3-oxopropoxy)phenyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-amino-3-oxopropoxy)phenyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 55768565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).