1H-indazol-3-yl-[4-(trifluoromethyl)phenyl]methanone

C15H9F3N2O — CID 170857532

IUPAC1H-indazol-3-yl-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)c1n[nH]c2ccccc12
InChIInChI=1S/C15H9F3N2O/c16-15(17,18)10-7-5-9(6-8-10)14(21)13-11-3-1-2-4-12(11)19-20-13/h1-8H,(H,19,20)
InChIKeyNFUVNJHPOTVPFO-UHFFFAOYSA-N
MW290.24 g/mol
LogP3.81
Rot. Bonds2

About 1H-indazol-3-yl-[4-(trifluoromethyl)phenyl]methanone

1H-indazol-3-yl-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 170857532) has the molecular formula C15H9F3N2O and a molecular weight of 290.24 g/mol. Its IUPAC name is 1H-indazol-3-yl-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name1H-indazol-3-yl-[4-(trifluoromethyl)phenyl]methanone
PubChem CID170857532
Molecular FormulaC15H9F3N2O
Molecular Weight290.24 g/mol
Exact Mass290.07
IUPAC Name1H-indazol-3-yl-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)c1n[nH]c2ccccc12
InChIInChI=1S/C15H9F3N2O/c16-15(17,18)10-7-5-9(6-8-10)14(21)13-11-3-1-2-4-12(11)19-20-13/h1-8H,(H,19,20)
InChIKeyNFUVNJHPOTVPFO-UHFFFAOYSA-N
XLogP3.81
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 1H-indazole-3-carboxylate
CID 7956494
N-(1H-indazol-3-yl)-2-methyl-2-[4-(trifluoromethyl)phenyl]propanamide
CID 155963071
1-(1H-indazol-3-yl)ethanone
CID 15684169
CID 161391832
CID 161391832
N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-indazole-3-carboxamide
CID 18126415
N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-3-amine
CID 171594927
N-[[1-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]-1H-indazole-3-carboxamide
CID 86968775
1H-indazol-3-yl-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 9021232
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1H-indazole-3-carboxamide
CID 33345718
N-(2,2,2-trifluoro-1-phenylethyl)-1H-indazole-3-carboxamide
CID 60589476
[3,5-bis[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone
CID 139681041
[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-3-yl-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of 1H-indazol-3-yl-[4-(trifluoromethyl)phenyl]methanone (CID 170857532) is 1H-indazol-3-yl-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for 1H-indazol-3-yl-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for 1H-indazol-3-yl-[4-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C(F)(F)F)cc1)c1n[nH]c2ccccc12.
What is the InChIKey of 1H-indazol-3-yl-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is NFUVNJHPOTVPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O/c16-15(17,18)10-7-5-9(6-8-10)14(21)13-11-3-1-2-4-12(11)19-20-13/h1-8H,(H,19,20).
What are the key properties of 1H-indazol-3-yl-[4-(trifluoromethyl)phenyl]methanone?
1H-indazol-3-yl-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 290.24 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-3-yl-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 170857532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).