trifluoromethyl N-(3-indazol-2-yl-3-phenylpropyl)-N-methylcarbamate

C19H18F3N3O2 — CID 67269073

IUPACtrifluoromethyl N-(3-indazol-2-yl-3-phenylpropyl)-N-methylcarbamate
SMILESCN(CCC(c1ccccc1)n1cc2ccccc2n1)C(=O)OC(F)(F)F
InChIInChI=1S/C19H18F3N3O2/c1-24(18(26)27-19(20,21)22)12-11-17(14-7-3-2-4-8-14)25-13-15-9-5-6-10-16(15)23-25/h2-10,13,17H,11-12H2,1H3
InChIKeyBFFOFKUHVPUXEK-UHFFFAOYSA-N
MW377.37 g/mol
LogP4.60
Rot. Bonds5

About trifluoromethyl N-(3-indazol-2-yl-3-phenylpropyl)-N-methylcarbamate

trifluoromethyl N-(3-indazol-2-yl-3-phenylpropyl)-N-methylcarbamate (PubChem CID 67269073) has the molecular formula C19H18F3N3O2 and a molecular weight of 377.37 g/mol. Its IUPAC name is trifluoromethyl N-(3-indazol-2-yl-3-phenylpropyl)-N-methylcarbamate.

Molecular Properties

Compound Nametrifluoromethyl N-(3-indazol-2-yl-3-phenylpropyl)-N-methylcarbamate
PubChem CID67269073
Molecular FormulaC19H18F3N3O2
Molecular Weight377.37 g/mol
Exact Mass377.14
IUPAC Nametrifluoromethyl N-(3-indazol-2-yl-3-phenylpropyl)-N-methylcarbamate
SMILESCN(CCC(c1ccccc1)n1cc2ccccc2n1)C(=O)OC(F)(F)F
InChIInChI=1S/C19H18F3N3O2/c1-24(18(26)27-19(20,21)22)12-11-17(14-7-3-2-4-8-14)25-13-15-9-5-6-10-16(15)23-25/h2-10,13,17H,11-12H2,1H3
InChIKeyBFFOFKUHVPUXEK-UHFFFAOYSA-N
XLogP4.60
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-indazol-2-yl-3-methylbutanoic acid
CID 50986535
tert-butyl N-methyl-N-[3-(2'-oxospiro[cyclohexane-1,3'-indole]-1'-yl)-3-phenylpropyl]carbamate
CID 68523289
benzyl N-[(2S)-1-indazol-2-yl-1-(phenylmethoxycarbonylamino)propan-2-yl]-N-(phenylmethoxycarbonylamino)carbamate
CID 132941118
tert-butyl N-[(3R)-3-(2-methoxyphenoxy)-3-phenylpropyl]-N-methylcarbamate
CID 142700885
ethyl N-(3-hydroxy-3-phenylpropyl)-N-methylcarbamate
CID 19753336
ethane;2-methylpropane;2-propan-2-ylindazole
CID 159582971
ethane;indazole-2-carboxylic acid
CID 91117205
tert-butyl N-methyl-N-[3-phenyl-3-[2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]phenoxy]propyl]carbamate
CID 151294931
tert-butyl N-methyl-N-(4-methyl-5-oxo-5-phenylpentyl)carbamate
CID 143215309
tert-butyl N-[2-[1H-benzimidazol-2-ylmethyl(methyl)amino]ethyl]-N-methylcarbamate
CID 54238697
phenyl N-methyl-N-[2-[methyl(phenoxycarbonyl)amino]ethyl]carbamate
CID 124926393
[benzotriazol-1-yloxy-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]amino]methylidene]-dimethylazanium
CID 118577897

Frequently Asked Questions

What is the IUPAC name of trifluoromethyl N-(3-indazol-2-yl-3-phenylpropyl)-N-methylcarbamate?
The IUPAC name of trifluoromethyl N-(3-indazol-2-yl-3-phenylpropyl)-N-methylcarbamate (CID 67269073) is trifluoromethyl N-(3-indazol-2-yl-3-phenylpropyl)-N-methylcarbamate.
What is the SMILES notation for trifluoromethyl N-(3-indazol-2-yl-3-phenylpropyl)-N-methylcarbamate?
The canonical SMILES for trifluoromethyl N-(3-indazol-2-yl-3-phenylpropyl)-N-methylcarbamate is CN(CCC(c1ccccc1)n1cc2ccccc2n1)C(=O)OC(F)(F)F.
What is the InChIKey of trifluoromethyl N-(3-indazol-2-yl-3-phenylpropyl)-N-methylcarbamate?
The InChIKey is BFFOFKUHVPUXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O2/c1-24(18(26)27-19(20,21)22)12-11-17(14-7-3-2-4-8-14)25-13-15-9-5-6-10-16(15)23-25/h2-10,13,17H,11-12H2,1H3.
What are the key properties of trifluoromethyl N-(3-indazol-2-yl-3-phenylpropyl)-N-methylcarbamate?
trifluoromethyl N-(3-indazol-2-yl-3-phenylpropyl)-N-methylcarbamate has a molecular weight of 377.37 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethyl N-(3-indazol-2-yl-3-phenylpropyl)-N-methylcarbamate is sourced from PubChem (CID 67269073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).