1-[3-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazole-2-carbonyl]phenyl]ethanone;3-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]benzoic acid;1-[4-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]phenyl]ethanone;[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]-[3-(4H-pyrazol-3-yl)phenyl]methanone;1-[3-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-pyridin-3-ylpyrazol-4-yl]-3,4-dihydropyrazole-2-carbonyl]phenyl]ethanone

C172H147N23O8 — CID 158065195

IUPAC1-[3-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazole-2-carbonyl]phenyl]ethanone;3-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]benzoic acid;1-[4-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]phenyl]ethanone;[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]-[3-(4H-pyrazol-3-yl)phenyl]methanone;1-[3-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-pyridin-3-ylpyrazol-4-yl]-3,4-dihydropyrazole-2-carbonyl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2N=C(c3ccc(C)cc3)CC2c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1.CC(=O)c1cccc(C(=O)N2N=C(c3ccc(C)cc3)CC2c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)c1.CC(=O)c1cccc(C(=O)N2N=C(c3ccc(C)cc3)CC2c2cn(-c3cccnc3)nc2-c2ccc(C)cc2)c1.Cc1ccc(C2=NN(C(=O)c3cccc(C4=NN=CC4)c3)C(c3cn(-c4ccccc4)nc3-c3ccc(C)cc3)C2)cc1.Cc1ccc(C2=NN(c3cccc(C(=O)O)c3)C(c3cn(-c4ccccc4)nc3-c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C36H30N6O.C35H30N4O2.C34H29N5O2.C34H30N4O.C33H28N4O2/c1-24-11-15-26(16-12-24)33-22-34(42(39-33)36(43)29-8-6-7-28(21-29)32-19-20-37-38-32)31-23-41(30-9-4-3-5-10-30)40-35(31)27-17-13-25(2)14-18-27;1-23-12-16-26(17-13-23)32-21-33(39(36-32)35(41)29-9-7-8-28(20-29)25(3)40)31-22-38(30-10-5-4-6-11-30)37-34(31)27-18-14-24(2)15-19-27;1-22-9-13-25(14-10-22)31-19-32(39(36-31)34(41)28-7-4-6-27(18-28)24(3)40)30-21-38(29-8-5-17-35-20-29)37-33(30)26-15-11-23(2)12-16-26;1-23-9-13-27(14-10-23)32-21-33(38(35-32)30-19-17-26(18-20-30)25(3)39)31-22-37(29-7-5-4-6-8-29)36-34(31)28-15-11-24(2)12-16-28;1-22-11-15-24(16-12-22)30-20-31(37(34-30)28-10-6-7-26(19-28)33(38)39)29-21-36(27-8-4-3-5-9-27)35-32(29)25-17-13-23(2)14-18-25/h3-18,20-21,23,34H,19,22H2,1-2H3;4-20,22,33H,21H2,1-3H3;4-18,20-21,32H,19H2,1-3H3;4-20,22,33H,21H2,1-3H3;3-19,21,31H,20H2,1-2H3,(H,38,39)
InChIKeyFLDGQYJUSPJBLX-UHFFFAOYSA-N
MW2664.22 g/mol
LogP36.35
Rot. Bonds30

About 1-[3-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazole-2-carbonyl]phenyl]ethanone;3-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]benzoic acid;1-[4-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]phenyl]ethanone;[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]-[3-(4H-pyrazol-3-yl)phenyl]methanone;1-[3-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-pyridin-3-ylpyrazol-4-yl]-3,4-dihydropyrazole-2-carbonyl]phenyl]ethanone

1-[3-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazole-2-carbonyl]phenyl]ethanone;3-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]benzoic acid;1-[4-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]phenyl]ethanone;[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]-[3-(4H-pyrazol-3-yl)phenyl]methanone;1-[3-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-pyridin-3-ylpyrazol-4-yl]-3,4-dihydropyrazole-2-carbonyl]phenyl]ethanone (PubChem CID 158065195) has the molecular formula C172H147N23O8 and a molecular weight of 2664.22 g/mol. Its IUPAC name is 1-[3-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazole-2-carbonyl]phenyl]ethanone;3-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]benzoic acid;1-[4-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]phenyl]ethanone;[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]-[3-(4H-pyrazol-3-yl)phenyl]methanone;1-[3-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-pyridin-3-ylpyrazol-4-yl]-3,4-dihydropyrazole-2-carbonyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazole-2-carbonyl]phenyl]ethanone;3-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]benzoic acid;1-[4-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]phenyl]ethanone;[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]-[3-(4H-pyrazol-3-yl)phenyl]methanone;1-[3-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-pyridin-3-ylpyrazol-4-yl]-3,4-dihydropyrazole-2-carbonyl]phenyl]ethanone
PubChem CID158065195
Molecular FormulaC172H147N23O8
Molecular Weight2664.22 g/mol
Exact Mass2662.18
IUPAC Name1-[3-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazole-2-carbonyl]phenyl]ethanone;3-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]benzoic acid;1-[4-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]phenyl]ethanone;[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]-[3-(4H-pyrazol-3-yl)phenyl]methanone;1-[3-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-pyridin-3-ylpyrazol-4-yl]-3,4-dihydropyrazole-2-carbonyl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2N=C(c3ccc(C)cc3)CC2c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1.CC(=O)c1cccc(C(=O)N2N=C(c3ccc(C)cc3)CC2c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)c1.CC(=O)c1cccc(C(=O)N2N=C(c3ccc(C)cc3)CC2c2cn(-c3cccnc3)nc2-c2ccc(C)cc2)c1.Cc1ccc(C2=NN(C(=O)c3cccc(C4=NN=CC4)c3)C(c3cn(-c4ccccc4)nc3-c3ccc(C)cc3)C2)cc1.Cc1ccc(C2=NN(c3cccc(C(=O)O)c3)C(c3cn(-c4ccccc4)nc3-c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C36H30N6O.C35H30N4O2.C34H29N5O2.C34H30N4O.C33H28N4O2/c1-24-11-15-26(16-12-24)33-22-34(42(39-33)36(43)29-8-6-7-28(21-29)32-19-20-37-38-32)31-23-41(30-9-4-3-5-10-30)40-35(31)27-17-13-25(2)14-18-27;1-23-12-16-26(17-13-23)32-21-33(39(36-32)35(41)29-9-7-8-28(20-29)25(3)40)31-22-38(30-10-5-4-6-11-30)37-34(31)27-18-14-24(2)15-19-27;1-22-9-13-25(14-10-22)31-19-32(39(36-31)34(41)28-7-4-6-27(18-28)24(3)40)30-21-38(29-8-5-17-35-20-29)37-33(30)26-15-11-23(2)12-16-26;1-23-9-13-27(14-10-23)32-21-33(38(35-32)30-19-17-26(18-20-30)25(3)39)31-22-37(29-7-5-4-6-8-29)36-34(31)28-15-11-24(2)12-16-28;1-22-11-15-24(16-12-22)30-20-31(37(34-30)28-10-6-7-26(19-28)33(38)39)29-21-36(27-8-4-3-5-9-27)35-32(29)25-17-13-23(2)14-18-25/h3-18,20-21,23,34H,19,22H2,1-2H3;4-20,22,33H,21H2,1-3H3;4-18,20-21,32H,19H2,1-3H3;4-20,22,33H,21H2,1-3H3;3-19,21,31H,20H2,1-2H3,(H,38,39)
InChIKeyFLDGQYJUSPJBLX-UHFFFAOYSA-N
XLogP36.35
TPSA344.43 Ų
H-Bond Donors1
H-Bond Acceptors27
Rotatable Bonds30
Heavy Atoms203
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002664.22
LogP ≤ 536.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1027

Analyze 1-[3-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazole-2-carbonyl]phenyl]ethanone;3-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]benzoic acid;1-[4-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]phenyl]ethanone;[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]-[3-(4H-pyrazol-3-yl)phenyl]methanone;1-[3-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-pyridin-3-ylpyrazol-4-yl]-3,4-dihydropyrazole-2-carbonyl]phenyl]ethanone with MolForge

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Related Compounds

3-[2-(Dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)benzoic acid;1-[3-[2-(dimethylamino)ethyl-methylamino]-5-(trifluoromethyl)phenyl]-2-[3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylphenyl]ethanone;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylaniline
CID 160752420
4-[4-[3-[4-[[2-[1-(4-Carboxy-3-methylphenyl)triazol-4-yl]-6-[1-[4-carboxy-3-(trifluoromethyl)phenyl]triazol-4-yl]pyridine-4-carbonyl]amino]butylcarbamoyl]-5-[1-[4-carboxy-3-(trifluoromethyl)phenyl]triazol-4-yl]phenyl]triazol-1-yl]-2-methylbenzoic acid
CID 164949866
1-[3-[3-[1-Benzyl-3-(4-methylphenyl)pyrazol-4-yl]-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbonyl]phenyl]ethanone;3-[3-[1,3-bis(4-methylphenyl)pyrazol-4-yl]-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbonyl]benzoic acid;1-[3-[3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbonyl]phenyl]ethanone;bis(1-[3-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazole-2-carbonyl]phenyl]ethanone)
CID 158243596
1-[3-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazole-2-carbonyl]phenyl]ethanone;3-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]benzoic acid;[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]-[3-(4H-pyrazol-3-yl)phenyl]methanone;1-[3-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-pyridin-3-ylpyrazol-4-yl]-3,4-dihydropyrazole-2-carbonyl]phenyl]ethanone
CID 160070278
3-[5-(4-Methylphenyl)-3-[3-(4-methylphenyl)-1-pyridin-3-ylpyrazol-4-yl]-3,4-dihydropyrazole-2-carbonyl]benzoic acid
CID 161094455
1-[3-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazole-2-carbonyl]phenyl]ethanone;[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]-[3-(4H-pyrazol-3-yl)phenyl]methanone;1-[3-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-pyridin-3-ylpyrazol-4-yl]-3,4-dihydropyrazole-2-carbonyl]phenyl]ethanone
CID 161974552
1-[3-[3-[3-(4-Chlorophenyl)-1-phenylpyrazol-4-yl]-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbonyl]phenyl]ethanone;1-[3-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazole-2-carbonyl]phenyl]ethanone;3-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]benzoic acid;1-[3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-5-(4-piperazin-1-ylphenyl)-3,4-dihydropyrazol-2-yl]pentane-1,4-dione;1-[3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-5-(4-pyridin-2-ylphenyl)-3,4-dihydropyrazol-2-yl]pentane-1,4-dione
CID 162155028
3-(Triazol-1-yl)-5-[4-[4-[3,5,7-tris[4-[1-[3-carboxy-5-(triazol-1-yl)phenyl]triazol-4-yl]phenyl]-1-adamantyl]phenyl]triazol-1-yl]benzoic acid
CID 102109780

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazole-2-carbonyl]phenyl]ethanone;3-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]benzoic acid;1-[4-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]phenyl]ethanone;[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]-[3-(4H-pyrazol-3-yl)phenyl]methanone;1-[3-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-pyridin-3-ylpyrazol-4-yl]-3,4-dihydropyrazole-2-carbonyl]phenyl]ethanone?
The IUPAC name of 1-[3-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazole-2-carbonyl]phenyl]ethanone;3-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]benzoic acid;1-[4-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]phenyl]ethanone;[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]-[3-(4H-pyrazol-3-yl)phenyl]methanone;1-[3-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-pyridin-3-ylpyrazol-4-yl]-3,4-dihydropyrazole-2-carbonyl]phenyl]ethanone (CID 158065195) is 1-[3-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazole-2-carbonyl]phenyl]ethanone;3-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]benzoic acid;1-[4-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]phenyl]ethanone;[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]-[3-(4H-pyrazol-3-yl)phenyl]methanone;1-[3-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-pyridin-3-ylpyrazol-4-yl]-3,4-dihydropyrazole-2-carbonyl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazole-2-carbonyl]phenyl]ethanone;3-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]benzoic acid;1-[4-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]phenyl]ethanone;[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]-[3-(4H-pyrazol-3-yl)phenyl]methanone;1-[3-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-pyridin-3-ylpyrazol-4-yl]-3,4-dihydropyrazole-2-carbonyl]phenyl]ethanone?
The canonical SMILES for 1-[3-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazole-2-carbonyl]phenyl]ethanone;3-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]benzoic acid;1-[4-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]phenyl]ethanone;[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]-[3-(4H-pyrazol-3-yl)phenyl]methanone;1-[3-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-pyridin-3-ylpyrazol-4-yl]-3,4-dihydropyrazole-2-carbonyl]phenyl]ethanone is CC(=O)c1ccc(N2N=C(c3ccc(C)cc3)CC2c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1.CC(=O)c1cccc(C(=O)N2N=C(c3ccc(C)cc3)CC2c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)c1.CC(=O)c1cccc(C(=O)N2N=C(c3ccc(C)cc3)CC2c2cn(-c3cccnc3)nc2-c2ccc(C)cc2)c1.Cc1ccc(C2=NN(C(=O)c3cccc(C4=NN=CC4)c3)C(c3cn(-c4ccccc4)nc3-c3ccc(C)cc3)C2)cc1.Cc1ccc(C2=NN(c3cccc(C(=O)O)c3)C(c3cn(-c4ccccc4)nc3-c3ccc(C)cc3)C2)cc1.
What is the InChIKey of 1-[3-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazole-2-carbonyl]phenyl]ethanone;3-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]benzoic acid;1-[4-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]phenyl]ethanone;[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]-[3-(4H-pyrazol-3-yl)phenyl]methanone;1-[3-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-pyridin-3-ylpyrazol-4-yl]-3,4-dihydropyrazole-2-carbonyl]phenyl]ethanone?
The InChIKey is FLDGQYJUSPJBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30N6O.C35H30N4O2.C34H29N5O2.C34H30N4O.C33H28N4O2/c1-24-11-15-26(16-12-24)33-22-34(42(39-33)36(43)29-8-6-7-28(21-29)32-19-20-37-38-32)31-23-41(30-9-4-3-5-10-30)40-35(31)27-17-13-25(2)14-18-27;1-23-12-16-26(17-13-23)32-21-33(39(36-32)35(41)29-9-7-8-28(20-29)25(3)40)31-22-38(30-10-5-4-6-11-30)37-34(31)27-18-14-24(2)15-19-27;1-22-9-13-25(14-10-22)31-19-32(39(36-31)34(41)28-7-4-6-27(18-28)24(3)40)30-21-38(29-8-5-17-35-20-29)37-33(30)26-15-11-23(2)12-16-26;1-23-9-13-27(14-10-23)32-21-33(38(35-32)30-19-17-26(18-20-30)25(3)39)31-22-37(29-7-5-4-6-8-29)36-34(31)28-15-11-24(2)12-16-28;1-22-11-15-24(16-12-22)30-20-31(37(34-30)28-10-6-7-26(19-28)33(38)39)29-21-36(27-8-4-3-5-9-27)35-32(29)25-17-13-23(2)14-18-25/h3-18,20-21,23,34H,19,22H2,1-2H3;4-20,22,33H,21H2,1-3H3;4-18,20-21,32H,19H2,1-3H3;4-20,22,33H,21H2,1-3H3;3-19,21,31H,20H2,1-2H3,(H,38,39).
What are the key properties of 1-[3-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazole-2-carbonyl]phenyl]ethanone;3-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]benzoic acid;1-[4-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]phenyl]ethanone;[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]-[3-(4H-pyrazol-3-yl)phenyl]methanone;1-[3-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-pyridin-3-ylpyrazol-4-yl]-3,4-dihydropyrazole-2-carbonyl]phenyl]ethanone?
1-[3-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazole-2-carbonyl]phenyl]ethanone;3-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]benzoic acid;1-[4-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]phenyl]ethanone;[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]-[3-(4H-pyrazol-3-yl)phenyl]methanone;1-[3-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-pyridin-3-ylpyrazol-4-yl]-3,4-dihydropyrazole-2-carbonyl]phenyl]ethanone has a molecular weight of 2664.22 g/mol, XLogP of 36.35, 30 rotatable bonds, 1 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazole-2-carbonyl]phenyl]ethanone;3-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]benzoic acid;1-[4-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]phenyl]ethanone;[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazol-2-yl]-[3-(4H-pyrazol-3-yl)phenyl]methanone;1-[3-[5-(4-methylphenyl)-3-[3-(4-methylphenyl)-1-pyridin-3-ylpyrazol-4-yl]-3,4-dihydropyrazole-2-carbonyl]phenyl]ethanone is sourced from PubChem (CID 158065195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).