tert-butyl N-[3-(difluoromethyl)-1-methylindazol-5-yl]carbamate

C14H17F2N3O2 — CID 171512305

IUPACtert-butyl N-[3-(difluoromethyl)-1-methylindazol-5-yl]carbamate
SMILESCn1nc(C(F)F)c2cc(NC(=O)OC(C)(C)C)ccc21
InChIInChI=1S/C14H17F2N3O2/c1-14(2,3)21-13(20)17-8-5-6-10-9(7-8)11(12(15)16)18-19(10)4/h5-7,12H,1-4H3,(H,17,20)
InChIKeyQDGOWOKPGWPQBA-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.86
Rot. Bonds2

About tert-butyl N-[3-(difluoromethyl)-1-methylindazol-5-yl]carbamate

tert-butyl N-[3-(difluoromethyl)-1-methylindazol-5-yl]carbamate (PubChem CID 171512305) has the molecular formula C14H17F2N3O2 and a molecular weight of 297.31 g/mol. Its IUPAC name is tert-butyl N-[3-(difluoromethyl)-1-methylindazol-5-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(difluoromethyl)-1-methylindazol-5-yl]carbamate
PubChem CID171512305
Molecular FormulaC14H17F2N3O2
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Nametert-butyl N-[3-(difluoromethyl)-1-methylindazol-5-yl]carbamate
SMILESCn1nc(C(F)F)c2cc(NC(=O)OC(C)(C)C)ccc21
InChIInChI=1S/C14H17F2N3O2/c1-14(2,3)21-13(20)17-8-5-6-10-9(7-8)11(12(15)16)18-19(10)4/h5-7,12H,1-4H3,(H,17,20)
InChIKeyQDGOWOKPGWPQBA-UHFFFAOYSA-N
XLogP3.86
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(1,3-dimethylindol-5-yl)carbamate
CID 90162227
tert-butyl N-[3-(4,4-difluorocyclohexen-1-yl)-1-methylindazol-5-yl]carbamate
CID 171512321
tert-butyl N-[3-(hydroxymethyl)-4-methylphenyl]carbamate
CID 58614987
tert-butyl N-(3-iodo-2H-indazol-5-yl)carbamate
CID 67453726
tert-butyl N-[3-(difluoromethoxy)-1-methylpyrazol-5-yl]carbamate
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2-[2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic acid
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tert-butyl N-(3-methyl-2H-indazol-5-yl)carbamate
CID 22567266
tert-butyl N-[2-(difluoromethoxy)-4-pyridinyl]carbamate
CID 175169131
tert-butyl N-(5-methoxy-1-methylindazol-4-yl)carbamate
CID 171597790
tert-butyl N-[3-methyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]phenyl]carbamate
CID 132820274
4-bromo-7-(methylamino)-2-propan-2-ylphthalazin-1-one;tert-butyl N-(1-bromo-4-oxo-3-propan-2-ylphthalazin-6-yl)carbamate
CID 69158811
tert-butyl N-[4-(2,2-difluoroethyl)phenyl]carbamate
CID 122648326

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(difluoromethyl)-1-methylindazol-5-yl]carbamate?
The IUPAC name of tert-butyl N-[3-(difluoromethyl)-1-methylindazol-5-yl]carbamate (CID 171512305) is tert-butyl N-[3-(difluoromethyl)-1-methylindazol-5-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(difluoromethyl)-1-methylindazol-5-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-(difluoromethyl)-1-methylindazol-5-yl]carbamate is Cn1nc(C(F)F)c2cc(NC(=O)OC(C)(C)C)ccc21.
What is the InChIKey of tert-butyl N-[3-(difluoromethyl)-1-methylindazol-5-yl]carbamate?
The InChIKey is QDGOWOKPGWPQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O2/c1-14(2,3)21-13(20)17-8-5-6-10-9(7-8)11(12(15)16)18-19(10)4/h5-7,12H,1-4H3,(H,17,20).
What are the key properties of tert-butyl N-[3-(difluoromethyl)-1-methylindazol-5-yl]carbamate?
tert-butyl N-[3-(difluoromethyl)-1-methylindazol-5-yl]carbamate has a molecular weight of 297.31 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(difluoromethyl)-1-methylindazol-5-yl]carbamate is sourced from PubChem (CID 171512305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).