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

C23H19ClFN5O — CID 30174616

IUPACN-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(Nc1ccnn1Cc1ccccc1Cl)c1nn(-c2ccc(F)cc2)c2c1CCC2
InChIInChI=1S/C23H19ClFN5O/c24-19-6-2-1-4-15(19)14-29-21(12-13-26-29)27-23(31)22-18-5-3-7-20(18)30(28-22)17-10-8-16(25)9-11-17/h1-2,4,6,8-13H,3,5,7,14H2,(H,27,31)
InChIKeyVVKWVGSCFDOGRO-UHFFFAOYSA-N
MW435.89 g/mol
LogP4.65
Rot. Bonds5

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

N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 30174616) has the molecular formula C23H19ClFN5O and a molecular weight of 435.89 g/mol. Its IUPAC name is N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID30174616
Molecular FormulaC23H19ClFN5O
Molecular Weight435.89 g/mol
Exact Mass435.13
IUPAC NameN-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(Nc1ccnn1Cc1ccccc1Cl)c1nn(-c2ccc(F)cc2)c2c1CCC2
InChIInChI=1S/C23H19ClFN5O/c24-19-6-2-1-4-15(19)14-29-21(12-13-26-29)27-23(31)22-18-5-3-7-20(18)30(28-22)17-10-8-16(25)9-11-17/h1-2,4,6,8-13H,3,5,7,14H2,(H,27,31)
InChIKeyVVKWVGSCFDOGRO-UHFFFAOYSA-N
XLogP4.65
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.89
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 16590366
N-(2-benzyl-5-methylpyrazol-3-yl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 43052472
N-(2-chloro-4-fluorophenyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 25490165
N-(2,6-dimethylphenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 17442022
N-(3-fluorophenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 25400778
1-(4-fluorophenyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 47017376
N-(3-carbamoyl-4-chlorophenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 46570664
N-[2-(ethylcarbamoyl)phenyl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 46441505
N-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 24608440
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 41223258
methyl (3S)-3-(2-chlorophenyl)-3-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]propanoate
CID 42101784
N-(2-carbamoylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 134042509

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 30174616) is N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is O=C(Nc1ccnn1Cc1ccccc1Cl)c1nn(-c2ccc(F)cc2)c2c1CCC2.
What is the InChIKey of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is VVKWVGSCFDOGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN5O/c24-19-6-2-1-4-15(19)14-29-21(12-13-26-29)27-23(31)22-18-5-3-7-20(18)30(28-22)17-10-8-16(25)9-11-17/h1-2,4,6,8-13H,3,5,7,14H2,(H,27,31).
What are the key properties of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 435.89 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 30174616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).