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

C25H24FN5O — CID 55597591

IUPACN-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCc1ccc(-n2nc(C(=O)NC(c3cccc(F)c3)c3nccn3C)c3c2CCC3)cc1
InChIInChI=1S/C25H24FN5O/c1-16-9-11-19(12-10-16)31-21-8-4-7-20(21)23(29-31)25(32)28-22(24-27-13-14-30(24)2)17-5-3-6-18(26)15-17/h3,5-6,9-15,22H,4,7-8H2,1-2H3,(H,28,32)
InChIKeyCOCVRFNLFJGOSK-UHFFFAOYSA-N
MW429.50 g/mol
LogP4.06
Rot. Bonds5

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

N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 55597591) has the molecular formula C25H24FN5O and a molecular weight of 429.50 g/mol. Its IUPAC name is N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID55597591
Molecular FormulaC25H24FN5O
Molecular Weight429.50 g/mol
Exact Mass429.20
IUPAC NameN-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCc1ccc(-n2nc(C(=O)NC(c3cccc(F)c3)c3nccn3C)c3c2CCC3)cc1
InChIInChI=1S/C25H24FN5O/c1-16-9-11-19(12-10-16)31-21-8-4-7-20(21)23(29-31)25(32)28-22(24-27-13-14-30(24)2)17-5-3-6-18(26)15-17/h3,5-6,9-15,22H,4,7-8H2,1-2H3,(H,28,32)
InChIKeyCOCVRFNLFJGOSK-UHFFFAOYSA-N
XLogP4.06
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-fluorophenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 46453410
1-(4-chlorophenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methyl-1,2,4-triazole-3-carboxamide
CID 24649483
N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 31503143
N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 27900176
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,5-dimethylthiophene-3-carboxamide
CID 47014697
N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methylpyrazine-2-carboxamide
CID 25356221
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methyl-3-pyrrol-1-ylbenzamide
CID 24597988
N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 25405053
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-3-carboxamide
CID 47014692
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-phenylpyrazole-3-carboxamide
CID 55651703
2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 47014672
N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 25341762

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 55597591) is N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is Cc1ccc(-n2nc(C(=O)NC(c3cccc(F)c3)c3nccn3C)c3c2CCC3)cc1.
What is the InChIKey of N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is COCVRFNLFJGOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O/c1-16-9-11-19(12-10-16)31-21-8-4-7-20(21)23(29-31)25(32)28-22(24-27-13-14-30(24)2)17-5-3-6-18(26)15-17/h3,5-6,9-15,22H,4,7-8H2,1-2H3,(H,28,32).
What are the key properties of N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 429.50 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 55597591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).