1-[3-(3,4-dimethylpyrazol-1-yl)-2-methyl-6-[4-[(4-methylphenyl)methyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-ethyl-5-methyl-4-(4-methylphenyl)pyrazole

C37H37F3N6 — CID 173137169

IUPAC1-[3-(3,4-dimethylpyrazol-1-yl)-2-methyl-6-[4-[(4-methylphenyl)methyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-ethyl-5-methyl-4-(4-methylphenyl)pyrazole
SMILESCCc1nn(-c2c(-n3cc(Cc4ccc(C)cc4)c(C(F)(F)F)n3)ccc(-n3cc(C)c(C)n3)c2C)c(C)c1-c1ccc(C)cc1
InChIInChI=1S/C37H37F3N6/c1-8-31-34(29-15-11-23(3)12-16-29)27(7)46(42-31)35-25(5)32(44-20-24(4)26(6)41-44)17-18-33(35)45-21-30(36(43-45)37(38,39)40)19-28-13-9-22(2)10-14-28/h9-18,20-21H,8,19H2,1-7H3
InChIKeyBOKAECCPBIXBGT-UHFFFAOYSA-N
MW622.74 g/mol
LogP8.93
Rot. Bonds7

About 1-[3-(3,4-dimethylpyrazol-1-yl)-2-methyl-6-[4-[(4-methylphenyl)methyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-ethyl-5-methyl-4-(4-methylphenyl)pyrazole

1-[3-(3,4-dimethylpyrazol-1-yl)-2-methyl-6-[4-[(4-methylphenyl)methyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-ethyl-5-methyl-4-(4-methylphenyl)pyrazole (PubChem CID 173137169) has the molecular formula C37H37F3N6 and a molecular weight of 622.74 g/mol. Its IUPAC name is 1-[3-(3,4-dimethylpyrazol-1-yl)-2-methyl-6-[4-[(4-methylphenyl)methyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-ethyl-5-methyl-4-(4-methylphenyl)pyrazole.

Molecular Properties

Compound Name1-[3-(3,4-dimethylpyrazol-1-yl)-2-methyl-6-[4-[(4-methylphenyl)methyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-ethyl-5-methyl-4-(4-methylphenyl)pyrazole
PubChem CID173137169
Molecular FormulaC37H37F3N6
Molecular Weight622.74 g/mol
Exact Mass622.30
IUPAC Name1-[3-(3,4-dimethylpyrazol-1-yl)-2-methyl-6-[4-[(4-methylphenyl)methyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-ethyl-5-methyl-4-(4-methylphenyl)pyrazole
SMILESCCc1nn(-c2c(-n3cc(Cc4ccc(C)cc4)c(C(F)(F)F)n3)ccc(-n3cc(C)c(C)n3)c2C)c(C)c1-c1ccc(C)cc1
InChIInChI=1S/C37H37F3N6/c1-8-31-34(29-15-11-23(3)12-16-29)27(7)46(42-31)35-25(5)32(44-20-24(4)26(6)41-44)17-18-33(35)45-21-30(36(43-45)37(38,39)40)19-28-13-9-22(2)10-14-28/h9-18,20-21H,8,19H2,1-7H3
InChIKeyBOKAECCPBIXBGT-UHFFFAOYSA-N
XLogP8.93
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.74
LogP ≤ 58.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[3-(3,4-dimethylpyrazol-1-yl)-2-methyl-6-[4-[(4-methylphenyl)methyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-ethyl-5-methyl-4-(4-methylphenyl)pyrazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-dimethylpyrazol-1-yl)-2-methyl-6-[4-[(4-methylphenyl)methyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-ethyl-5-methyl-4-(4-methylphenyl)pyrazole?
The IUPAC name of 1-[3-(3,4-dimethylpyrazol-1-yl)-2-methyl-6-[4-[(4-methylphenyl)methyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-ethyl-5-methyl-4-(4-methylphenyl)pyrazole (CID 173137169) is 1-[3-(3,4-dimethylpyrazol-1-yl)-2-methyl-6-[4-[(4-methylphenyl)methyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-ethyl-5-methyl-4-(4-methylphenyl)pyrazole.
What is the SMILES notation for 1-[3-(3,4-dimethylpyrazol-1-yl)-2-methyl-6-[4-[(4-methylphenyl)methyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-ethyl-5-methyl-4-(4-methylphenyl)pyrazole?
The canonical SMILES for 1-[3-(3,4-dimethylpyrazol-1-yl)-2-methyl-6-[4-[(4-methylphenyl)methyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-ethyl-5-methyl-4-(4-methylphenyl)pyrazole is CCc1nn(-c2c(-n3cc(Cc4ccc(C)cc4)c(C(F)(F)F)n3)ccc(-n3cc(C)c(C)n3)c2C)c(C)c1-c1ccc(C)cc1.
What is the InChIKey of 1-[3-(3,4-dimethylpyrazol-1-yl)-2-methyl-6-[4-[(4-methylphenyl)methyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-ethyl-5-methyl-4-(4-methylphenyl)pyrazole?
The InChIKey is BOKAECCPBIXBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H37F3N6/c1-8-31-34(29-15-11-23(3)12-16-29)27(7)46(42-31)35-25(5)32(44-20-24(4)26(6)41-44)17-18-33(35)45-21-30(36(43-45)37(38,39)40)19-28-13-9-22(2)10-14-28/h9-18,20-21H,8,19H2,1-7H3.
What are the key properties of 1-[3-(3,4-dimethylpyrazol-1-yl)-2-methyl-6-[4-[(4-methylphenyl)methyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-ethyl-5-methyl-4-(4-methylphenyl)pyrazole?
1-[3-(3,4-dimethylpyrazol-1-yl)-2-methyl-6-[4-[(4-methylphenyl)methyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-ethyl-5-methyl-4-(4-methylphenyl)pyrazole has a molecular weight of 622.74 g/mol, XLogP of 8.93, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-dimethylpyrazol-1-yl)-2-methyl-6-[4-[(4-methylphenyl)methyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-ethyl-5-methyl-4-(4-methylphenyl)pyrazole is sourced from PubChem (CID 173137169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).