tert-butyl N-(1H-indazol-5-ylmethyl)carbamate

C13H17N3O2 — CID 59462463

IUPACtert-butyl N-(1H-indazol-5-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc2[nH]ncc2c1
InChIInChI=1S/C13H17N3O2/c1-13(2,3)18-12(17)14-7-9-4-5-11-10(6-9)8-15-16-11/h4-6,8H,7H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyLTMPDHYBTKOOFO-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.59
Rot. Bonds2

About tert-butyl N-(1H-indazol-5-ylmethyl)carbamate

tert-butyl N-(1H-indazol-5-ylmethyl)carbamate (PubChem CID 59462463) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is tert-butyl N-(1H-indazol-5-ylmethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1H-indazol-5-ylmethyl)carbamate
PubChem CID59462463
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Nametert-butyl N-(1H-indazol-5-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc2[nH]ncc2c1
InChIInChI=1S/C13H17N3O2/c1-13(2,3)18-12(17)14-7-9-4-5-11-10(6-9)8-15-16-11/h4-6,8H,7H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyLTMPDHYBTKOOFO-UHFFFAOYSA-N
XLogP2.59
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-indazol-5-ylmethyl)propanamide
CID 165111571
tert-butyl N-[2,3-dihydroxy-3-(1H-indazol-5-yl)propyl]carbamate
CID 170832269
N-[(4-tert-butylphenyl)methyl]-1H-indazole-5-carboxamide
CID 22933798
N-(1H-indazol-6-ylmethyl)-2,2-dimethylpropanamide
CID 110470760
tert-butyl N-[(2-ethyl-3H-benzimidazol-5-yl)methyl]carbamate
CID 142258214
tert-butyl N-[(3R,4S,5S)-4-hydroxy-5-(1H-indazol-5-ylmethyl)-1,1-dioxothian-3-yl]carbamate
CID 57385532
tert-butyl N-[(2-methylindazol-5-yl)methyl]carbamate
CID 155896192
2-chloro-N-[2-(1H-indazol-5-yl)ethyl]acetamide
CID 154880645
2-(1H-indazol-5-yl)acetic acid
CID 39103838
cyclobutyl N-[2-(1H-indazol-5-yl)ethyl]carbamate
CID 126835076
tert-butyl N-[(6-ethyl-3-pyridinyl)methyl]carbamate
CID 143422700
(5Z,8Z,11Z,14Z)-N-(1H-indazol-5-ylmethyl)icosa-5,8,11,14-tetraenamide
CID 130453312

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1H-indazol-5-ylmethyl)carbamate?
The IUPAC name of tert-butyl N-(1H-indazol-5-ylmethyl)carbamate (CID 59462463) is tert-butyl N-(1H-indazol-5-ylmethyl)carbamate.
What is the SMILES notation for tert-butyl N-(1H-indazol-5-ylmethyl)carbamate?
The canonical SMILES for tert-butyl N-(1H-indazol-5-ylmethyl)carbamate is CC(C)(C)OC(=O)NCc1ccc2[nH]ncc2c1.
What is the InChIKey of tert-butyl N-(1H-indazol-5-ylmethyl)carbamate?
The InChIKey is LTMPDHYBTKOOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-13(2,3)18-12(17)14-7-9-4-5-11-10(6-9)8-15-16-11/h4-6,8H,7H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of tert-butyl N-(1H-indazol-5-ylmethyl)carbamate?
tert-butyl N-(1H-indazol-5-ylmethyl)carbamate has a molecular weight of 247.30 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1H-indazol-5-ylmethyl)carbamate is sourced from PubChem (CID 59462463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).