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

C24H21F2N5O — CID 46453410

IUPAC1-(2-fluorophenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCn1ccnc1C(NC(=O)c1nn(-c2ccccc2F)c2c1CCC2)c1cccc(F)c1
InChIInChI=1S/C24H21F2N5O/c1-30-13-12-27-23(30)21(15-6-4-7-16(25)14-15)28-24(32)22-17-8-5-11-19(17)31(29-22)20-10-3-2-9-18(20)26/h2-4,6-7,9-10,12-14,21H,5,8,11H2,1H3,(H,28,32)
InChIKeyRUTVHBVIAJEZOP-UHFFFAOYSA-N
MW433.46 g/mol
LogP3.89
Rot. Bonds5

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

1-(2-fluorophenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 46453410) has the molecular formula C24H21F2N5O and a molecular weight of 433.46 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID46453410
Molecular FormulaC24H21F2N5O
Molecular Weight433.46 g/mol
Exact Mass433.17
IUPAC Name1-(2-fluorophenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCn1ccnc1C(NC(=O)c1nn(-c2ccccc2F)c2c1CCC2)c1cccc(F)c1
InChIInChI=1S/C24H21F2N5O/c1-30-13-12-27-23(30)21(15-6-4-7-16(25)14-15)28-24(32)22-17-8-5-11-19(17)31(29-22)20-10-3-2-9-18(20)26/h2-4,6-7,9-10,12-14,21H,5,8,11H2,1H3,(H,28,32)
InChIKeyRUTVHBVIAJEZOP-UHFFFAOYSA-N
XLogP3.89
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55597591
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55689902
N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 27900176
2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 47014672
N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 31359845
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-3-carboxamide
CID 47014692
N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methylpyrazine-2-carboxamide
CID 25356221
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-phenylpyrazole-3-carboxamide
CID 55651703
N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethoxy-4-methylbenzamide
CID 25341523
N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 25405053
1-(4-chlorophenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methyl-1,2,4-triazole-3-carboxamide
CID 24649483
N-cyclohexyl-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 39397284

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 46453410) is 1-(2-fluorophenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is Cn1ccnc1C(NC(=O)c1nn(-c2ccccc2F)c2c1CCC2)c1cccc(F)c1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is RUTVHBVIAJEZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5O/c1-30-13-12-27-23(30)21(15-6-4-7-16(25)14-15)28-24(32)22-17-8-5-11-19(17)31(29-22)20-10-3-2-9-18(20)26/h2-4,6-7,9-10,12-14,21H,5,8,11H2,1H3,(H,28,32).
What are the key properties of 1-(2-fluorophenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
1-(2-fluorophenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 433.46 g/mol, XLogP of 3.89, 5 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-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 46453410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).