5-[2-[(1S)-1-fluoroethyl]-4-(trifluoromethyl)imidazol-1-yl]-7-methyl-1H-indazole

C14H12F4N4 — CID 175138137

IUPAC5-[2-[(1S)-1-fluoroethyl]-4-(trifluoromethyl)imidazol-1-yl]-7-methyl-1H-indazole
SMILESCc1cc(-n2cc(C(F)(F)F)nc2[C@H](C)F)cc2cn[nH]c12
InChIInChI=1S/C14H12F4N4/c1-7-3-10(4-9-5-19-21-12(7)9)22-6-11(14(16,17)18)20-13(22)8(2)15/h3-6,8H,1-2H3,(H,19,21)/t8-/m0/s1
InChIKeyGPYISUXADXNFGR-QMMMGPOBSA-N
MW312.27 g/mol
LogP4.11
Rot. Bonds2

About 5-[2-[(1S)-1-fluoroethyl]-4-(trifluoromethyl)imidazol-1-yl]-7-methyl-1H-indazole

5-[2-[(1S)-1-fluoroethyl]-4-(trifluoromethyl)imidazol-1-yl]-7-methyl-1H-indazole (PubChem CID 175138137) has the molecular formula C14H12F4N4 and a molecular weight of 312.27 g/mol. Its IUPAC name is 5-[2-[(1S)-1-fluoroethyl]-4-(trifluoromethyl)imidazol-1-yl]-7-methyl-1H-indazole.

Molecular Properties

Compound Name5-[2-[(1S)-1-fluoroethyl]-4-(trifluoromethyl)imidazol-1-yl]-7-methyl-1H-indazole
PubChem CID175138137
Molecular FormulaC14H12F4N4
Molecular Weight312.27 g/mol
Exact Mass312.10
IUPAC Name5-[2-[(1S)-1-fluoroethyl]-4-(trifluoromethyl)imidazol-1-yl]-7-methyl-1H-indazole
SMILESCc1cc(-n2cc(C(F)(F)F)nc2[C@H](C)F)cc2cn[nH]c12
InChIInChI=1S/C14H12F4N4/c1-7-3-10(4-9-5-19-21-12(7)9)22-6-11(14(16,17)18)20-13(22)8(2)15/h3-6,8H,1-2H3,(H,19,21)/t8-/m0/s1
InChIKeyGPYISUXADXNFGR-QMMMGPOBSA-N
XLogP4.11
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(1S)-1-fluoroethyl]-4-(trifluoromethyl)imidazol-1-yl]-7-methyl-1H-indazole?
The IUPAC name of 5-[2-[(1S)-1-fluoroethyl]-4-(trifluoromethyl)imidazol-1-yl]-7-methyl-1H-indazole (CID 175138137) is 5-[2-[(1S)-1-fluoroethyl]-4-(trifluoromethyl)imidazol-1-yl]-7-methyl-1H-indazole.
What is the SMILES notation for 5-[2-[(1S)-1-fluoroethyl]-4-(trifluoromethyl)imidazol-1-yl]-7-methyl-1H-indazole?
The canonical SMILES for 5-[2-[(1S)-1-fluoroethyl]-4-(trifluoromethyl)imidazol-1-yl]-7-methyl-1H-indazole is Cc1cc(-n2cc(C(F)(F)F)nc2[C@H](C)F)cc2cn[nH]c12.
What is the InChIKey of 5-[2-[(1S)-1-fluoroethyl]-4-(trifluoromethyl)imidazol-1-yl]-7-methyl-1H-indazole?
The InChIKey is GPYISUXADXNFGR-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H12F4N4/c1-7-3-10(4-9-5-19-21-12(7)9)22-6-11(14(16,17)18)20-13(22)8(2)15/h3-6,8H,1-2H3,(H,19,21)/t8-/m0/s1.
What are the key properties of 5-[2-[(1S)-1-fluoroethyl]-4-(trifluoromethyl)imidazol-1-yl]-7-methyl-1H-indazole?
5-[2-[(1S)-1-fluoroethyl]-4-(trifluoromethyl)imidazol-1-yl]-7-methyl-1H-indazole has a molecular weight of 312.27 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(1S)-1-fluoroethyl]-4-(trifluoromethyl)imidazol-1-yl]-7-methyl-1H-indazole is sourced from PubChem (CID 175138137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).