1-(4-chlorophenyl)-5-cyclobutyl-4-[2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pentyl]pyrazole;1-[1-(4-chlorophenyl)-5-cyclobutylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one

C45H47Cl2F6N9O — CID 158917956

IUPAC1-(4-chlorophenyl)-5-cyclobutyl-4-[2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pentyl]pyrazole;1-[1-(4-chlorophenyl)-5-cyclobutylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one
SMILESCCCC(Cc1cnn(-c2ccc(Cl)cc2)c1C1CCC1)n1cc(C(F)(F)F)nc1C.Cc1nc(C(F)(F)F)cn1C1CCN(c2cnn(-c3ccc(Cl)cc3)c2C2CCC2)C1=O
InChIInChI=1S/C23H26ClF3N4.C22H21ClF3N5O/c1-3-5-20(30-14-21(23(25,26)27)29-15(30)2)12-17-13-28-31(22(17)16-6-4-7-16)19-10-8-18(24)9-11-19;1-13-28-19(22(24,25)26)12-30(13)17-9-10-29(21(17)32)18-11-27-31(20(18)14-3-2-4-14)16-7-5-15(23)6-8-16/h8-11,13-14,16,20H,3-7,12H2,1-2H3;5-8,11-12,14,17H,2-4,9-10H2,1H3
InChIKeyJHLWYAHCCBFSAN-UHFFFAOYSA-N
MW914.83 g/mol
LogP12.20
Rot. Bonds11

About 1-(4-chlorophenyl)-5-cyclobutyl-4-[2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pentyl]pyrazole;1-[1-(4-chlorophenyl)-5-cyclobutylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one

1-(4-chlorophenyl)-5-cyclobutyl-4-[2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pentyl]pyrazole;1-[1-(4-chlorophenyl)-5-cyclobutylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one (PubChem CID 158917956) has the molecular formula C45H47Cl2F6N9O and a molecular weight of 914.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-cyclobutyl-4-[2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pentyl]pyrazole;1-[1-(4-chlorophenyl)-5-cyclobutylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-cyclobutyl-4-[2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pentyl]pyrazole;1-[1-(4-chlorophenyl)-5-cyclobutylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one
PubChem CID158917956
Molecular FormulaC45H47Cl2F6N9O
Molecular Weight914.83 g/mol
Exact Mass913.32
IUPAC Name1-(4-chlorophenyl)-5-cyclobutyl-4-[2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pentyl]pyrazole;1-[1-(4-chlorophenyl)-5-cyclobutylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one
SMILESCCCC(Cc1cnn(-c2ccc(Cl)cc2)c1C1CCC1)n1cc(C(F)(F)F)nc1C.Cc1nc(C(F)(F)F)cn1C1CCN(c2cnn(-c3ccc(Cl)cc3)c2C2CCC2)C1=O
InChIInChI=1S/C23H26ClF3N4.C22H21ClF3N5O/c1-3-5-20(30-14-21(23(25,26)27)29-15(30)2)12-17-13-28-31(22(17)16-6-4-7-16)19-10-8-18(24)9-11-19;1-13-28-19(22(24,25)26)12-30(13)17-9-10-29(21(17)32)18-11-27-31(20(18)14-3-2-4-14)16-7-5-15(23)6-8-16/h8-11,13-14,16,20H,3-7,12H2,1-2H3;5-8,11-12,14,17H,2-4,9-10H2,1H3
InChIKeyJHLWYAHCCBFSAN-UHFFFAOYSA-N
XLogP12.20
TPSA91.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500914.83
LogP ≤ 512.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-(4-chlorophenyl)-5-cyclobutyl-4-[2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pentyl]pyrazole;1-[1-(4-chlorophenyl)-5-cyclobutylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one with MolForge

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Related Compounds

1-[1-(4-Chlorophenyl)-5-isopropyl-pyrazol-4-yl]-3-methyl-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one
CID 76282729
1-[1-(4-Chlorophenyl)-5-isopropylpyrazol-4-yl]-3-[2-ethyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one
CID 76282972
1-[1-(4-Chlorophenyl)-5-isopropylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one
CID 76282976
(3S)-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one
CID 90205543
1-[1-(4-Chlorophenyl)-5-cyclobutylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one
CID 90205663
(3R)-1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one
CID 90219363
(3S)-1-[1-(4-chloro-3-methylphenyl)-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one
CID 90225176
1-[1-(4-Chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one
CID 90225180
(2S)-N-[1-(4-chlorophenyl)-5-cyclobutylpyrazol-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanamide
CID 90233725
(2R)-N-[1-(4-chlorophenyl)-5-cyclobutylpyrazol-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanamide
CID 90234118
N-[1-(4-chlorophenyl)-5-cyclobutylpyrazol-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propanamide
CID 90242231
(3S)-1-[1-(4-chlorophenyl)-3-[2-[3-(4-chlorophenyl)-5-[(3S)-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]-2-oxopyrrolidin-1-yl]triazol-4-yl]propyl]-5-propan-2-ylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one
CID 132004646

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-cyclobutyl-4-[2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pentyl]pyrazole;1-[1-(4-chlorophenyl)-5-cyclobutylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one?
The IUPAC name of 1-(4-chlorophenyl)-5-cyclobutyl-4-[2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pentyl]pyrazole;1-[1-(4-chlorophenyl)-5-cyclobutylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one (CID 158917956) is 1-(4-chlorophenyl)-5-cyclobutyl-4-[2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pentyl]pyrazole;1-[1-(4-chlorophenyl)-5-cyclobutylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-5-cyclobutyl-4-[2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pentyl]pyrazole;1-[1-(4-chlorophenyl)-5-cyclobutylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-5-cyclobutyl-4-[2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pentyl]pyrazole;1-[1-(4-chlorophenyl)-5-cyclobutylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one is CCCC(Cc1cnn(-c2ccc(Cl)cc2)c1C1CCC1)n1cc(C(F)(F)F)nc1C.Cc1nc(C(F)(F)F)cn1C1CCN(c2cnn(-c3ccc(Cl)cc3)c2C2CCC2)C1=O.
What is the InChIKey of 1-(4-chlorophenyl)-5-cyclobutyl-4-[2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pentyl]pyrazole;1-[1-(4-chlorophenyl)-5-cyclobutylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one?
The InChIKey is JHLWYAHCCBFSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClF3N4.C22H21ClF3N5O/c1-3-5-20(30-14-21(23(25,26)27)29-15(30)2)12-17-13-28-31(22(17)16-6-4-7-16)19-10-8-18(24)9-11-19;1-13-28-19(22(24,25)26)12-30(13)17-9-10-29(21(17)32)18-11-27-31(20(18)14-3-2-4-14)16-7-5-15(23)6-8-16/h8-11,13-14,16,20H,3-7,12H2,1-2H3;5-8,11-12,14,17H,2-4,9-10H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-5-cyclobutyl-4-[2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pentyl]pyrazole;1-[1-(4-chlorophenyl)-5-cyclobutylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one?
1-(4-chlorophenyl)-5-cyclobutyl-4-[2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pentyl]pyrazole;1-[1-(4-chlorophenyl)-5-cyclobutylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one has a molecular weight of 914.83 g/mol, XLogP of 12.20, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-cyclobutyl-4-[2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pentyl]pyrazole;1-[1-(4-chlorophenyl)-5-cyclobutylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 158917956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).