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

C24H24ClFN4O2 — CID 39469992

IUPACN-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2nn(-c3ccccc3F)c3c2CCC3)cc1Cl
InChIInChI=1S/C24H24ClFN4O2/c1-3-29(4-2)24(32)16-13-12-15(14-18(16)25)27-23(31)22-17-8-7-11-20(17)30(28-22)21-10-6-5-9-19(21)26/h5-6,9-10,12-14H,3-4,7-8,11H2,1-2H3,(H,27,31)
InChIKeyUVLLYIWDEQENLL-UHFFFAOYSA-N
MW454.93 g/mol
LogP4.89
Rot. Bonds6

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

N-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 39469992) has the molecular formula C24H24ClFN4O2 and a molecular weight of 454.93 g/mol. Its IUPAC name is N-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID39469992
Molecular FormulaC24H24ClFN4O2
Molecular Weight454.93 g/mol
Exact Mass454.16
IUPAC NameN-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2nn(-c3ccccc3F)c3c2CCC3)cc1Cl
InChIInChI=1S/C24H24ClFN4O2/c1-3-29(4-2)24(32)16-13-12-15(14-18(16)25)27-23(31)22-17-8-7-11-20(17)30(28-22)21-10-6-5-9-19(21)26/h5-6,9-10,12-14H,3-4,7-8,11H2,1-2H3,(H,27,31)
InChIKeyUVLLYIWDEQENLL-UHFFFAOYSA-N
XLogP4.89
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.93
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55687554
N-(3-acetylphenyl)-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 39040435
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55687997
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 39466398
N-(2-ethylphenyl)-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 39297108
S-[4-[[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56533315
N-[3-(benzenesulfonamido)phenyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55705967
1-(2-fluorophenyl)-N-(4-piperidin-1-ylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55688274
1-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 39272234
N-(2-fluoro-5-methylphenyl)-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 39286728
1-(2-fluorophenyl)-N-(4-iodo-2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55688233
1-(2-fluorophenyl)-N-[3-(5-methylpyrazol-1-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 166203684

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 39469992) is N-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is CCN(CC)C(=O)c1ccc(NC(=O)c2nn(-c3ccccc3F)c3c2CCC3)cc1Cl.
What is the InChIKey of N-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is UVLLYIWDEQENLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN4O2/c1-3-29(4-2)24(32)16-13-12-15(14-18(16)25)27-23(31)22-17-8-7-11-20(17)30(28-22)21-10-6-5-9-19(21)26/h5-6,9-10,12-14H,3-4,7-8,11H2,1-2H3,(H,27,31).
What are the key properties of N-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
N-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 454.93 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 39469992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).