5-[4-ethyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;dihydrochloride

C19H23Cl2F3N6O — CID 67024478

IUPAC5-[4-ethyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;dihydrochloride
SMILESCCn1c(N2CCc3[nH]ncc3C2)nnc1C(C)(C)Oc1c(F)cc(F)cc1F.Cl.Cl
InChIInChI=1S/C19H21F3N6O.2ClH/c1-4-28-17(19(2,3)29-16-13(21)7-12(20)8-14(16)22)25-26-18(28)27-6-5-15-11(10-27)9-23-24-15;;/h7-9H,4-6,10H2,1-3H3,(H,23,24);2*1H
InChIKeyLSJRGZOVLSAVGJ-UHFFFAOYSA-N
MW479.33 g/mol
LogP4.16
Rot. Bonds5

About 5-[4-ethyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;dihydrochloride

5-[4-ethyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;dihydrochloride (PubChem CID 67024478) has the molecular formula C19H23Cl2F3N6O and a molecular weight of 479.33 g/mol. Its IUPAC name is 5-[4-ethyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;dihydrochloride.

Molecular Properties

Compound Name5-[4-ethyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;dihydrochloride
PubChem CID67024478
Molecular FormulaC19H23Cl2F3N6O
Molecular Weight479.33 g/mol
Exact Mass478.13
IUPAC Name5-[4-ethyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;dihydrochloride
SMILESCCn1c(N2CCc3[nH]ncc3C2)nnc1C(C)(C)Oc1c(F)cc(F)cc1F.Cl.Cl
InChIInChI=1S/C19H21F3N6O.2ClH/c1-4-28-17(19(2,3)29-16-13(21)7-12(20)8-14(16)22)25-26-18(28)27-6-5-15-11(10-27)9-23-24-15;;/h7-9H,4-6,10H2,1-3H3,(H,23,24);2*1H
InChIKeyLSJRGZOVLSAVGJ-UHFFFAOYSA-N
XLogP4.16
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.33
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[4-ethyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;dihydrochloride with MolForge

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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-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-[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-[4-ethyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]-1-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
CID 58243629
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
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-ethyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;dihydrochloride?
The IUPAC name of 5-[4-ethyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;dihydrochloride (CID 67024478) is 5-[4-ethyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;dihydrochloride.
What is the SMILES notation for 5-[4-ethyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;dihydrochloride?
The canonical SMILES for 5-[4-ethyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;dihydrochloride is CCn1c(N2CCc3[nH]ncc3C2)nnc1C(C)(C)Oc1c(F)cc(F)cc1F.Cl.Cl.
What is the InChIKey of 5-[4-ethyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;dihydrochloride?
The InChIKey is LSJRGZOVLSAVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N6O.2ClH/c1-4-28-17(19(2,3)29-16-13(21)7-12(20)8-14(16)22)25-26-18(28)27-6-5-15-11(10-27)9-23-24-15;;/h7-9H,4-6,10H2,1-3H3,(H,23,24);2*1H.
What are the key properties of 5-[4-ethyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;dihydrochloride?
5-[4-ethyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;dihydrochloride has a molecular weight of 479.33 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-ethyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;dihydrochloride is sourced from PubChem (CID 67024478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).