5-[3-cyclopropyl-4-(trifluoromethyl)-2H-imidazol-1-yl]-1H-indazole

C14H13F3N4 — CID 172744342

IUPAC5-[3-cyclopropyl-4-(trifluoromethyl)-2H-imidazol-1-yl]-1H-indazole
SMILESFC(F)(F)C1=CN(c2ccc3[nH]ncc3c2)CN1C1CC1
InChIInChI=1S/C14H13F3N4/c15-14(16,17)13-7-20(8-21(13)10-1-2-10)11-3-4-12-9(5-11)6-18-19-12/h3-7,10H,1-2,8H2,(H,18,19)
InChIKeyJNCOZIDVAMCBSY-UHFFFAOYSA-N
MW294.28 g/mol
LogP3.21
Rot. Bonds2

About 5-[3-cyclopropyl-4-(trifluoromethyl)-2H-imidazol-1-yl]-1H-indazole

5-[3-cyclopropyl-4-(trifluoromethyl)-2H-imidazol-1-yl]-1H-indazole (PubChem CID 172744342) has the molecular formula C14H13F3N4 and a molecular weight of 294.28 g/mol. Its IUPAC name is 5-[3-cyclopropyl-4-(trifluoromethyl)-2H-imidazol-1-yl]-1H-indazole.

Molecular Properties

Compound Name5-[3-cyclopropyl-4-(trifluoromethyl)-2H-imidazol-1-yl]-1H-indazole
PubChem CID172744342
Molecular FormulaC14H13F3N4
Molecular Weight294.28 g/mol
Exact Mass294.11
IUPAC Name5-[3-cyclopropyl-4-(trifluoromethyl)-2H-imidazol-1-yl]-1H-indazole
SMILESFC(F)(F)C1=CN(c2ccc3[nH]ncc3c2)CN1C1CC1
InChIInChI=1S/C14H13F3N4/c15-14(16,17)13-7-20(8-21(13)10-1-2-10)11-3-4-12-9(5-11)6-18-19-12/h3-7,10H,1-2,8H2,(H,18,19)
InChIKeyJNCOZIDVAMCBSY-UHFFFAOYSA-N
XLogP3.21
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R,6S,7R)-4-(1H-indazol-5-yl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 68547482
5-[4-tert-butyl-2-(trifluoromethyl)imidazol-1-yl]-1H-indazole
CID 172744174
5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-indazole
CID 138396393
5-(2-cyclopropyl-4-methylimidazol-1-yl)-1H-indazole
CID 172763000
5-[3-(trifluoromethyl)diazirin-3-yl]-1H-indazole
CID 137346968
1-[3-(1H-indazol-5-yl)-5-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]cyclopropan-1-ol
CID 122654553
3-(1H-indazol-5-yl)-2-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 122654554
4-(4-fluorophenyl)-6-(1H-indazol-5-yl)-1,3,4,4a-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione
CID 67454513
5-pyrrolidin-2-yl-1H-indazole
CID 82602484
N-[(3-cyclopropylimidazol-4-yl)methyl]-1H-indazol-5-amine
CID 66164096
cyclooctyl-[1-(1H-indazol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]methanone
CID 167015527
5-(1-cyclopentylazepan-4-yl)oxy-1H-indazole
CID 18447181

Frequently Asked Questions

What is the IUPAC name of 5-[3-cyclopropyl-4-(trifluoromethyl)-2H-imidazol-1-yl]-1H-indazole?
The IUPAC name of 5-[3-cyclopropyl-4-(trifluoromethyl)-2H-imidazol-1-yl]-1H-indazole (CID 172744342) is 5-[3-cyclopropyl-4-(trifluoromethyl)-2H-imidazol-1-yl]-1H-indazole.
What is the SMILES notation for 5-[3-cyclopropyl-4-(trifluoromethyl)-2H-imidazol-1-yl]-1H-indazole?
The canonical SMILES for 5-[3-cyclopropyl-4-(trifluoromethyl)-2H-imidazol-1-yl]-1H-indazole is FC(F)(F)C1=CN(c2ccc3[nH]ncc3c2)CN1C1CC1.
What is the InChIKey of 5-[3-cyclopropyl-4-(trifluoromethyl)-2H-imidazol-1-yl]-1H-indazole?
The InChIKey is JNCOZIDVAMCBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4/c15-14(16,17)13-7-20(8-21(13)10-1-2-10)11-3-4-12-9(5-11)6-18-19-12/h3-7,10H,1-2,8H2,(H,18,19).
What are the key properties of 5-[3-cyclopropyl-4-(trifluoromethyl)-2H-imidazol-1-yl]-1H-indazole?
5-[3-cyclopropyl-4-(trifluoromethyl)-2H-imidazol-1-yl]-1H-indazole has a molecular weight of 294.28 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-cyclopropyl-4-(trifluoromethyl)-2H-imidazol-1-yl]-1H-indazole is sourced from PubChem (CID 172744342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).