tert-butyl N-[(2-methylindazol-5-yl)methyl]carbamate

C14H19N3O2 — CID 155896192

IUPACtert-butyl N-[(2-methylindazol-5-yl)methyl]carbamate
SMILESCn1cc2cc(CNC(=O)OC(C)(C)C)ccc2n1
InChIInChI=1S/C14H19N3O2/c1-14(2,3)19-13(18)15-8-10-5-6-12-11(7-10)9-17(4)16-12/h5-7,9H,8H2,1-4H3,(H,15,18)
InChIKeyORCUNDJDRIVXRC-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.60
Rot. Bonds2

About tert-butyl N-[(2-methylindazol-5-yl)methyl]carbamate

tert-butyl N-[(2-methylindazol-5-yl)methyl]carbamate (PubChem CID 155896192) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is tert-butyl N-[(2-methylindazol-5-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-methylindazol-5-yl)methyl]carbamate
PubChem CID155896192
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Nametert-butyl N-[(2-methylindazol-5-yl)methyl]carbamate
SMILESCn1cc2cc(CNC(=O)OC(C)(C)C)ccc2n1
InChIInChI=1S/C14H19N3O2/c1-14(2,3)19-13(18)15-8-10-5-6-12-11(7-10)9-17(4)16-12/h5-7,9H,8H2,1-4H3,(H,15,18)
InChIKeyORCUNDJDRIVXRC-UHFFFAOYSA-N
XLogP2.60
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(1H-indazol-5-ylmethyl)carbamate
CID 59462463
tert-butyl N-[(2-ethyl-3H-benzimidazol-5-yl)methyl]carbamate
CID 142258214
tert-butyl N-([1,2,4]triazolo[4,3-a]pyridin-7-ylmethyl)carbamate
CID 119020406
tert-butyl N-[[4-(cyanomethyl)phenyl]methyl]carbamate
CID 131850271
methyl 2-[(E)-2-methoxyethenyl]-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoate
CID 146418020
2-[(E)-2-methoxyethenyl]-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic acid
CID 146403824
tert-butyl N-(furan-3-ylmethyl)carbamate
CID 45091890
tert-butyl N-[(4-formylphenyl)methyl]carbamate;molecular hydrogen
CID 143920464
4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-2-carboxylic acid
CID 160827228
tert-butyl N-[[3-(hydroxymethyl)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methyl]carbamate
CID 139721370
tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 20739774
tert-butyl N-[(1-ethylpyrazol-3-yl)methyl]carbamate
CID 163355422

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-methylindazol-5-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(2-methylindazol-5-yl)methyl]carbamate (CID 155896192) is tert-butyl N-[(2-methylindazol-5-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2-methylindazol-5-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(2-methylindazol-5-yl)methyl]carbamate is Cn1cc2cc(CNC(=O)OC(C)(C)C)ccc2n1.
What is the InChIKey of tert-butyl N-[(2-methylindazol-5-yl)methyl]carbamate?
The InChIKey is ORCUNDJDRIVXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-14(2,3)19-13(18)15-8-10-5-6-12-11(7-10)9-17(4)16-12/h5-7,9H,8H2,1-4H3,(H,15,18).
What are the key properties of tert-butyl N-[(2-methylindazol-5-yl)methyl]carbamate?
tert-butyl N-[(2-methylindazol-5-yl)methyl]carbamate has a molecular weight of 261.32 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2-methylindazol-5-yl)methyl]carbamate is sourced from PubChem (CID 155896192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).