tert-butyl N-[1-[3-ethyl-6-(trifluoromethyl)indazol-1-yl]propan-2-yl]carbamate

C18H24F3N3O2 — CID 18546217

IUPACtert-butyl N-[1-[3-ethyl-6-(trifluoromethyl)indazol-1-yl]propan-2-yl]carbamate
SMILESCCc1nn(CC(C)NC(=O)OC(C)(C)C)c2cc(C(F)(F)F)ccc12
InChIInChI=1S/C18H24F3N3O2/c1-6-14-13-8-7-12(18(19,20)21)9-15(13)24(23-14)10-11(2)22-16(25)26-17(3,4)5/h7-9,11H,6,10H2,1-5H3,(H,22,25)
InChIKeyPKBDCMUHKYUWJE-UHFFFAOYSA-N
MW371.40 g/mol
LogP4.53
Rot. Bonds4

About tert-butyl N-[1-[3-ethyl-6-(trifluoromethyl)indazol-1-yl]propan-2-yl]carbamate

tert-butyl N-[1-[3-ethyl-6-(trifluoromethyl)indazol-1-yl]propan-2-yl]carbamate (PubChem CID 18546217) has the molecular formula C18H24F3N3O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is tert-butyl N-[1-[3-ethyl-6-(trifluoromethyl)indazol-1-yl]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[3-ethyl-6-(trifluoromethyl)indazol-1-yl]propan-2-yl]carbamate
PubChem CID18546217
Molecular FormulaC18H24F3N3O2
Molecular Weight371.40 g/mol
Exact Mass371.18
IUPAC Nametert-butyl N-[1-[3-ethyl-6-(trifluoromethyl)indazol-1-yl]propan-2-yl]carbamate
SMILESCCc1nn(CC(C)NC(=O)OC(C)(C)C)c2cc(C(F)(F)F)ccc12
InChIInChI=1S/C18H24F3N3O2/c1-6-14-13-8-7-12(18(19,20)21)9-15(13)24(23-14)10-11(2)22-16(25)26-17(3,4)5/h7-9,11H,6,10H2,1-5H3,(H,22,25)
InChIKeyPKBDCMUHKYUWJE-UHFFFAOYSA-N
XLogP4.53
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[3-ethyl-6-(trifluoromethyl)indazol-1-yl]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[3-ethyl-6-(trifluoromethyl)indazol-1-yl]propan-2-yl]carbamate (CID 18546217) is tert-butyl N-[1-[3-ethyl-6-(trifluoromethyl)indazol-1-yl]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[3-ethyl-6-(trifluoromethyl)indazol-1-yl]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[3-ethyl-6-(trifluoromethyl)indazol-1-yl]propan-2-yl]carbamate is CCc1nn(CC(C)NC(=O)OC(C)(C)C)c2cc(C(F)(F)F)ccc12.
What is the InChIKey of tert-butyl N-[1-[3-ethyl-6-(trifluoromethyl)indazol-1-yl]propan-2-yl]carbamate?
The InChIKey is PKBDCMUHKYUWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O2/c1-6-14-13-8-7-12(18(19,20)21)9-15(13)24(23-14)10-11(2)22-16(25)26-17(3,4)5/h7-9,11H,6,10H2,1-5H3,(H,22,25).
What are the key properties of tert-butyl N-[1-[3-ethyl-6-(trifluoromethyl)indazol-1-yl]propan-2-yl]carbamate?
tert-butyl N-[1-[3-ethyl-6-(trifluoromethyl)indazol-1-yl]propan-2-yl]carbamate has a molecular weight of 371.40 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[3-ethyl-6-(trifluoromethyl)indazol-1-yl]propan-2-yl]carbamate is sourced from PubChem (CID 18546217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).