N-(3-fluoro-4-pyrazol-1-ylphenyl)-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

C23H20FN5O — CID 55891896

IUPACN-(3-fluoro-4-pyrazol-1-ylphenyl)-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCc1ccc(-n2nc(C(=O)Nc3ccc(-n4cccn4)c(F)c3)c3c2CCC3)cc1
InChIInChI=1S/C23H20FN5O/c1-15-6-9-17(10-7-15)29-20-5-2-4-18(20)22(27-29)23(30)26-16-8-11-21(19(24)14-16)28-13-3-12-25-28/h3,6-14H,2,4-5H2,1H3,(H,26,30)
InChIKeyVWIRZDNQJFXNOB-UHFFFAOYSA-N
MW401.45 g/mol
LogP4.25
Rot. Bonds4

About N-(3-fluoro-4-pyrazol-1-ylphenyl)-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

N-(3-fluoro-4-pyrazol-1-ylphenyl)-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 55891896) has the molecular formula C23H20FN5O and a molecular weight of 401.45 g/mol. Its IUPAC name is N-(3-fluoro-4-pyrazol-1-ylphenyl)-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-pyrazol-1-ylphenyl)-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID55891896
Molecular FormulaC23H20FN5O
Molecular Weight401.45 g/mol
Exact Mass401.17
IUPAC NameN-(3-fluoro-4-pyrazol-1-ylphenyl)-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCc1ccc(-n2nc(C(=O)Nc3ccc(-n4cccn4)c(F)c3)c3c2CCC3)cc1
InChIInChI=1S/C23H20FN5O/c1-15-6-9-17(10-7-15)29-20-5-2-4-18(20)22(27-29)23(30)26-16-8-11-21(19(24)14-16)28-13-3-12-25-28/h3,6-14H,2,4-5H2,1H3,(H,26,30)
InChIKeyVWIRZDNQJFXNOB-UHFFFAOYSA-N
XLogP4.25
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-5-methyltriazole-4-carboxamide
CID 55891897
N-(3-fluorophenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 25400778
1-(4-methylphenyl)-N-[3-(methylsulfamoyl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 46468575
N-[3-[ethyl(methyl)amino]phenyl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 71881123
N-(3-acetamidophenyl)-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 18224743
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
1-(4-fluorophenyl)-N-[3-(methylcarbamoyl)phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 16618962
1-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 16618890
N-(3-bromophenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 16581187
1-(4-fluorophenyl)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 42396765
1-(4-methylphenyl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 37030532

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-pyrazol-1-ylphenyl)-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-(3-fluoro-4-pyrazol-1-ylphenyl)-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 55891896) is N-(3-fluoro-4-pyrazol-1-ylphenyl)-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-pyrazol-1-ylphenyl)-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-(3-fluoro-4-pyrazol-1-ylphenyl)-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is Cc1ccc(-n2nc(C(=O)Nc3ccc(-n4cccn4)c(F)c3)c3c2CCC3)cc1.
What is the InChIKey of N-(3-fluoro-4-pyrazol-1-ylphenyl)-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is VWIRZDNQJFXNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O/c1-15-6-9-17(10-7-15)29-20-5-2-4-18(20)22(27-29)23(30)26-16-8-11-21(19(24)14-16)28-13-3-12-25-28/h3,6-14H,2,4-5H2,1H3,(H,26,30).
What are the key properties of N-(3-fluoro-4-pyrazol-1-ylphenyl)-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
N-(3-fluoro-4-pyrazol-1-ylphenyl)-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 401.45 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-pyrazol-1-ylphenyl)-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 55891896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).