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

C24H20FN5O — CID 39413350

IUPAC1-(2-fluorophenyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCc1nccc(-c2cccc(NC(=O)c3nn(-c4ccccc4F)c4c3CCC4)c2)n1
InChIInChI=1S/C24H20FN5O/c1-15-26-13-12-20(27-15)16-6-4-7-17(14-16)28-24(31)23-18-8-5-11-21(18)30(29-23)22-10-3-2-9-19(22)25/h2-4,6-7,9-10,12-14H,5,8,11H2,1H3,(H,28,31)
InChIKeySNFIAKLHZVUECD-UHFFFAOYSA-N
MW413.46 g/mol
LogP4.52
Rot. Bonds4

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

1-(2-fluorophenyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 39413350) has the molecular formula C24H20FN5O and a molecular weight of 413.46 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID39413350
Molecular FormulaC24H20FN5O
Molecular Weight413.46 g/mol
Exact Mass413.17
IUPAC Name1-(2-fluorophenyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCc1nccc(-c2cccc(NC(=O)c3nn(-c4ccccc4F)c4c3CCC4)c2)n1
InChIInChI=1S/C24H20FN5O/c1-15-26-13-12-20(27-15)16-6-4-7-17(14-16)28-24(31)23-18-8-5-11-21(18)30(29-23)22-10-3-2-9-19(22)25/h2-4,6-7,9-10,12-14H,5,8,11H2,1H3,(H,28,31)
InChIKeySNFIAKLHZVUECD-UHFFFAOYSA-N
XLogP4.52
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 39040435
1-(2-fluorophenyl)-N-[3-(5-methylpyrazol-1-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 166203684
N-[3-(benzenesulfonamido)phenyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55705967
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 39466398
1-(2-fluorophenyl)-N-(4-iodo-2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55688233
N-(2-fluoro-5-methylphenyl)-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 39286728
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-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55687554
1-(2-fluorophenyl)-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55687770
1-(2-fluorophenyl)-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 76865905
S-[4-[[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56533315
N-(2-ethylphenyl)-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 39297108

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 39413350) is 1-(2-fluorophenyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is Cc1nccc(-c2cccc(NC(=O)c3nn(-c4ccccc4F)c4c3CCC4)c2)n1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is SNFIAKLHZVUECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O/c1-15-26-13-12-20(27-15)16-6-4-7-17(14-16)28-24(31)23-18-8-5-11-21(18)30(29-23)22-10-3-2-9-19(22)25/h2-4,6-7,9-10,12-14H,5,8,11H2,1H3,(H,28,31).
What are the key properties of 1-(2-fluorophenyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
1-(2-fluorophenyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 413.46 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 39413350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).