N-(2-benzyl-5-methylpyrazol-3-yl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

C24H22FN5O — CID 43052472

IUPACN-(2-benzyl-5-methylpyrazol-3-yl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCc1cc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)n(Cc2ccccc2)n1
InChIInChI=1S/C24H22FN5O/c1-16-14-22(29(27-16)15-17-6-3-2-4-7-17)26-24(31)23-20-8-5-9-21(20)30(28-23)19-12-10-18(25)11-13-19/h2-4,6-7,10-14H,5,8-9,15H2,1H3,(H,26,31)
InChIKeyJXPHKAYDDNBXMR-UHFFFAOYSA-N
MW415.47 g/mol
LogP4.31
Rot. Bonds5

About N-(2-benzyl-5-methylpyrazol-3-yl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

N-(2-benzyl-5-methylpyrazol-3-yl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 43052472) has the molecular formula C24H22FN5O and a molecular weight of 415.47 g/mol. Its IUPAC name is N-(2-benzyl-5-methylpyrazol-3-yl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-benzyl-5-methylpyrazol-3-yl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID43052472
Molecular FormulaC24H22FN5O
Molecular Weight415.47 g/mol
Exact Mass415.18
IUPAC NameN-(2-benzyl-5-methylpyrazol-3-yl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCc1cc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)n(Cc2ccccc2)n1
InChIInChI=1S/C24H22FN5O/c1-16-14-22(29(27-16)15-17-6-3-2-4-7-17)26-24(31)23-20-8-5-9-21(20)30(28-23)19-12-10-18(25)11-13-19/h2-4,6-7,10-14H,5,8-9,15H2,1H3,(H,26,31)
InChIKeyJXPHKAYDDNBXMR-UHFFFAOYSA-N
XLogP4.31
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluoro-2-methylphenyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 24586962
N-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 24608440
N-(2,6-dimethylphenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 17442022
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 30174616
1-(4-fluorophenyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 47017376
N-(3-fluorophenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 25400778
N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 26017080
N-(2-chloro-4-fluorophenyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 25490165
N-(4-bromo-2-methylphenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 24595456
N-[2-(ethylcarbamoyl)phenyl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 46441505
N-(2-chlorophenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 16590366
1-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 42492084

Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-5-methylpyrazol-3-yl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-(2-benzyl-5-methylpyrazol-3-yl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 43052472) is N-(2-benzyl-5-methylpyrazol-3-yl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-benzyl-5-methylpyrazol-3-yl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-(2-benzyl-5-methylpyrazol-3-yl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is Cc1cc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)n(Cc2ccccc2)n1.
What is the InChIKey of N-(2-benzyl-5-methylpyrazol-3-yl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is JXPHKAYDDNBXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O/c1-16-14-22(29(27-16)15-17-6-3-2-4-7-17)26-24(31)23-20-8-5-9-21(20)30(28-23)19-12-10-18(25)11-13-19/h2-4,6-7,10-14H,5,8-9,15H2,1H3,(H,26,31).
What are the key properties of N-(2-benzyl-5-methylpyrazol-3-yl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
N-(2-benzyl-5-methylpyrazol-3-yl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 415.47 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-5-methylpyrazol-3-yl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 43052472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).