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

C25H30N4O — CID 55768386

IUPACN-[[3-(diethylaminomethyl)phenyl]methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCCN(CC)Cc1cccc(CNC(=O)c2nn(-c3ccccc3)c3c2CCC3)c1
InChIInChI=1S/C25H30N4O/c1-3-28(4-2)18-20-11-8-10-19(16-20)17-26-25(30)24-22-14-9-15-23(22)29(27-24)21-12-6-5-7-13-21/h5-8,10-13,16H,3-4,9,14-15,17-18H2,1-2H3,(H,26,30)
InChIKeyPGPXEYCFEGAWKZ-UHFFFAOYSA-N
MW402.54 g/mol
LogP4.13
Rot. Bonds8

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

N-[[3-(diethylaminomethyl)phenyl]methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 55768386) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is N-[[3-(diethylaminomethyl)phenyl]methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(diethylaminomethyl)phenyl]methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID55768386
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC NameN-[[3-(diethylaminomethyl)phenyl]methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCCN(CC)Cc1cccc(CNC(=O)c2nn(-c3ccccc3)c3c2CCC3)c1
InChIInChI=1S/C25H30N4O/c1-3-28(4-2)18-20-11-8-10-19(16-20)17-26-25(30)24-22-14-9-15-23(22)29(27-24)21-12-6-5-7-13-21/h5-8,10-13,16H,3-4,9,14-15,17-18H2,1-2H3,(H,26,30)
InChIKeyPGPXEYCFEGAWKZ-UHFFFAOYSA-N
XLogP4.13
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(diethylaminomethyl)phenyl]methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[[3-(diethylaminomethyl)phenyl]methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 55768386) is N-[[3-(diethylaminomethyl)phenyl]methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[[3-(diethylaminomethyl)phenyl]methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[[3-(diethylaminomethyl)phenyl]methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is CCN(CC)Cc1cccc(CNC(=O)c2nn(-c3ccccc3)c3c2CCC3)c1.
What is the InChIKey of N-[[3-(diethylaminomethyl)phenyl]methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is PGPXEYCFEGAWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O/c1-3-28(4-2)18-20-11-8-10-19(16-20)17-26-25(30)24-22-14-9-15-23(22)29(27-24)21-12-6-5-7-13-21/h5-8,10-13,16H,3-4,9,14-15,17-18H2,1-2H3,(H,26,30).
What are the key properties of N-[[3-(diethylaminomethyl)phenyl]methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
N-[[3-(diethylaminomethyl)phenyl]methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 402.54 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(diethylaminomethyl)phenyl]methyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 55768386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).