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

C21H24ClF2N5O — CID 58243779

IUPAC5-[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
SMILESCCn1c(C2CCc3n[nH]c(C)c3C2)nnc1C(C)(C)Oc1c(F)cc(Cl)cc1F
InChIInChI=1S/C21H24ClF2N5O/c1-5-29-19(12-6-7-17-14(8-12)11(2)25-26-17)27-28-20(29)21(3,4)30-18-15(23)9-13(22)10-16(18)24/h9-10,12H,5-8H2,1-4H3,(H,25,26)
InChIKeyFYIVTVZFTGHEGW-UHFFFAOYSA-N
MW435.91 g/mol
LogP4.85
Rot. Bonds5

About 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

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 (PubChem CID 58243779) has the molecular formula C21H24ClF2N5O and a molecular weight of 435.91 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID58243779
Molecular FormulaC21H24ClF2N5O
Molecular Weight435.91 g/mol
Exact Mass435.16
IUPAC Name5-[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
SMILESCCn1c(C2CCc3n[nH]c(C)c3C2)nnc1C(C)(C)Oc1c(F)cc(Cl)cc1F
InChIInChI=1S/C21H24ClF2N5O/c1-5-29-19(12-6-7-17-14(8-12)11(2)25-26-17)27-28-20(29)21(3,4)30-18-15(23)9-13(22)10-16(18)24/h9-10,12H,5-8H2,1-4H3,(H,25,26)
InChIKeyFYIVTVZFTGHEGW-UHFFFAOYSA-N
XLogP4.85
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.91
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
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
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
3-chloro-5-[5-[2-(4-chloro-2,6-difluorophenoxy)propan-2-yl]-4-ethyl-1,2,4-triazol-3-yl]-2H-indazole
CID 58243935
5-[5-[2-(2,6-difluorophenoxy)propan-2-yl]-4-methyl-1,2,4-triazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole
CID 58243971

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCn1c(C2CCc3n[nH]c(C)c3C2)nnc1C(C)(C)Oc1c(F)cc(Cl)cc1F.
What is the InChIKey of 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?
The InChIKey is FYIVTVZFTGHEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClF2N5O/c1-5-29-19(12-6-7-17-14(8-12)11(2)25-26-17)27-28-20(29)21(3,4)30-18-15(23)9-13(22)10-16(18)24/h9-10,12H,5-8H2,1-4H3,(H,25,26).
What are the key properties of 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?
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 has a molecular weight of 435.91 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 58243779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).