N-[[4-(dimethylamino)phenyl]methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

C22H24N4O — CID 25376653

IUPACN-[[4-(dimethylamino)phenyl]methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCN(C)c1ccc(CNC(=O)c2nn(-c3ccccc3)c3c2CCC3)cc1
InChIInChI=1S/C22H24N4O/c1-25(2)17-13-11-16(12-14-17)15-23-22(27)21-19-9-6-10-20(19)26(24-21)18-7-4-3-5-8-18/h3-5,7-8,11-14H,6,9-10,15H2,1-2H3,(H,23,27)
InChIKeyFXYVODQUEBKFLC-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.36
Rot. Bonds5

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

N-[[4-(dimethylamino)phenyl]methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 25376653) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID25376653
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCN(C)c1ccc(CNC(=O)c2nn(-c3ccccc3)c3c2CCC3)cc1
InChIInChI=1S/C22H24N4O/c1-25(2)17-13-11-16(12-14-17)15-23-22(27)21-19-9-6-10-20(19)26(24-21)18-7-4-3-5-8-18/h3-5,7-8,11-14H,6,9-10,15H2,1-2H3,(H,23,27)
InChIKeyFXYVODQUEBKFLC-UHFFFAOYSA-N
XLogP3.36
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 17492126
methyl N-[4-[[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)amino]methyl]phenyl]carbamate
CID 55846428
N-[(4-methylsulfonylphenyl)methyl]-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 60511744
N-[[3-(diethylaminomethyl)phenyl]methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55768386
1-phenyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 110374242
2-[(1-phenyl-4,5,6,7-tetrahydroindazole-3-carbonyl)amino]acetic acid
CID 175587571
N-[3-(dimethylamino)propyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389156
1-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 42492084
N-[(2-methoxy-4-pyridinyl)methyl]-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 55775483
N-(2-hydroxyethyl)-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 78888197
1-phenyl-N-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 110374225
N-(3-methoxypropyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 30098859

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 25376653) is N-[[4-(dimethylamino)phenyl]methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is CN(C)c1ccc(CNC(=O)c2nn(-c3ccccc3)c3c2CCC3)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is FXYVODQUEBKFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-25(2)17-13-11-16(12-14-17)15-23-22(27)21-19-9-6-10-20(19)26(24-21)18-7-4-3-5-8-18/h3-5,7-8,11-14H,6,9-10,15H2,1-2H3,(H,23,27).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
N-[[4-(dimethylamino)phenyl]methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 25376653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).