5-[4-methyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole

C19H20F3N5O — CID 58243467

IUPAC5-[4-methyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole
SMILESCn1c(C2CCc3[nH]ncc3C2)nnc1C(C)(C)Oc1c(F)cc(F)cc1F
InChIInChI=1S/C19H20F3N5O/c1-19(2,28-16-13(21)7-12(20)8-14(16)22)18-26-25-17(27(18)3)10-4-5-15-11(6-10)9-23-24-15/h7-10H,4-6H2,1-3H3,(H,23,24)
InChIKeyRZJQZKADKKYMMC-UHFFFAOYSA-N
MW391.40 g/mol
LogP3.54
Rot. Bonds4

About 5-[4-methyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole

5-[4-methyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole (PubChem CID 58243467) has the molecular formula C19H20F3N5O and a molecular weight of 391.40 g/mol. Its IUPAC name is 5-[4-methyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole.

Molecular Properties

Compound Name5-[4-methyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole
PubChem CID58243467
Molecular FormulaC19H20F3N5O
Molecular Weight391.40 g/mol
Exact Mass391.16
IUPAC Name5-[4-methyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole
SMILESCn1c(C2CCc3[nH]ncc3C2)nnc1C(C)(C)Oc1c(F)cc(F)cc1F
InChIInChI=1S/C19H20F3N5O/c1-19(2,28-16-13(21)7-12(20)8-14(16)22)18-26-25-17(27(18)3)10-4-5-15-11(6-10)9-23-24-15/h7-10H,4-6H2,1-3H3,(H,23,24)
InChIKeyRZJQZKADKKYMMC-UHFFFAOYSA-N
XLogP3.54
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazole
CID 56941970
5-[4-Ethyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]-1-methyl-4,5,6,7-tetrahydroindazole
CID 58243531
5-[5-[2-(4-chloro-2,6-difluorophenoxy)propan-2-yl]-4-ethyl-1,2,4-triazol-3-yl]-3-methyl-2H-indazole
CID 58243575
5-[4-ethyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole
CID 58243577
5-[5-[2-(4-chloro-2,6-difluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazol-3-yl]-1H-indazole
CID 58243639
5-[5-[2-(4-chloro-2,6-difluorophenoxy)propan-2-yl]-4-ethyl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole
CID 58243669
4-Methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazole
CID 58243720
5-[5-[2-(4-chloro-2,6-difluorophenoxy)propan-2-yl]-4-ethyl-1,2,4-triazol-3-yl]-3-methyl-4,5,6,7-tetrahydro-2H-indazole
CID 58243779
3-chloro-5-[4-ethyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]-2H-indazole
CID 58243800
5-[4-ethyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]-3-methyl-2H-indazole
CID 58243886
5-[5-[2-(4-chloro-2,6-difluorophenoxy)propan-2-yl]-4-ethyl-1,2,4-triazol-3-yl]-1H-indazole
CID 58243891
5-[4-cyclopropyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole
CID 58243903

Frequently Asked Questions

What is the IUPAC name of 5-[4-methyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole?
The IUPAC name of 5-[4-methyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole (CID 58243467) is 5-[4-methyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole.
What is the SMILES notation for 5-[4-methyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole?
The canonical SMILES for 5-[4-methyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole is Cn1c(C2CCc3[nH]ncc3C2)nnc1C(C)(C)Oc1c(F)cc(F)cc1F.
What is the InChIKey of 5-[4-methyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole?
The InChIKey is RZJQZKADKKYMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O/c1-19(2,28-16-13(21)7-12(20)8-14(16)22)18-26-25-17(27(18)3)10-4-5-15-11(6-10)9-23-24-15/h7-10H,4-6H2,1-3H3,(H,23,24).
What are the key properties of 5-[4-methyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole?
5-[4-methyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole has a molecular weight of 391.40 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-methyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole is sourced from PubChem (CID 58243467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).