tert-butyl N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)carbamate

C12H19N3O2 — CID 68757924

IUPACtert-butyl N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCc2cn[nH]c2C1
InChIInChI=1S/C12H19N3O2/c1-12(2,3)17-11(16)14-9-5-4-8-7-13-15-10(8)6-9/h7,9H,4-6H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyNWTFRIGRRWVJGV-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.79
Rot. Bonds1

About tert-butyl N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)carbamate

tert-butyl N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)carbamate (PubChem CID 68757924) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is tert-butyl N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)carbamate
PubChem CID68757924
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Nametert-butyl N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCc2cn[nH]c2C1
InChIInChI=1S/C12H19N3O2/c1-12(2,3)17-11(16)14-9-5-4-8-7-13-15-10(8)6-9/h7,9H,4-6H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyNWTFRIGRRWVJGV-UHFFFAOYSA-N
XLogP1.79
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)acetamide
CID 20546780
N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)prop-2-enamide
CID 126821504
2-methoxy-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]pyrimidine-5-carboxamide
CID 126451545
tert-butyl N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 129371230
tert-butyl 1,4,5,6,7,8-hexahydropyrazolo[5,4-c]azepine-6-carboxylate
CID 67289241
tert-butyl N-(3-amino-5,6,7,8-tetrahydroquinolin-7-yl)carbamate
CID 86643888
methyl 4,5,6,7-tetrahydro-1H-indazole-6-carboxylate
CID 54595497
N'-[4-(4-methylphenoxy)phenyl]-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]oxamide
CID 124738271
tert-butyl N-(2-amino-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)carbamate
CID 70861981
1,5-dimethyl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)pyrazole-3-carboxamide
CID 127463103
2-[1-[2-oxo-2-(4,5,6,7-tetrahydro-1H-indazol-6-ylamino)ethyl]cyclohexyl]-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)acetamide
CID 166218088
methyl 5-[[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]carbamoylamino]thiophene-3-carboxylate
CID 124889142

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)carbamate?
The IUPAC name of tert-butyl N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)carbamate (CID 68757924) is tert-butyl N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)carbamate?
The canonical SMILES for tert-butyl N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)carbamate is CC(C)(C)OC(=O)NC1CCc2cn[nH]c2C1.
What is the InChIKey of tert-butyl N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)carbamate?
The InChIKey is NWTFRIGRRWVJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-12(2,3)17-11(16)14-9-5-4-8-7-13-15-10(8)6-9/h7,9H,4-6H2,1-3H3,(H,13,15)(H,14,16).
What are the key properties of tert-butyl N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)carbamate?
tert-butyl N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)carbamate has a molecular weight of 237.30 g/mol, XLogP of 1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)carbamate is sourced from PubChem (CID 68757924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).