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

C12H19N3O2 — CID 97184680

IUPACtert-butyl N-[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCCc2cn[nH]c21
InChIInChI=1S/C12H19N3O2/c1-12(2,3)17-11(16)14-9-6-4-5-8-7-13-15-10(8)9/h7,9H,4-6H2,1-3H3,(H,13,15)(H,14,16)/t9-/m0/s1
InChIKeyUNPDFDSZXIRIEB-VIFPVBQESA-N
MW237.30 g/mol
LogP2.31
Rot. Bonds1

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

tert-butyl N-[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]carbamate (PubChem CID 97184680) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is tert-butyl N-[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]carbamate
PubChem CID97184680
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Nametert-butyl N-[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCCc2cn[nH]c21
InChIInChI=1S/C12H19N3O2/c1-12(2,3)17-11(16)14-9-6-4-5-8-7-13-15-10(8)9/h7,9H,4-6H2,1-3H3,(H,13,15)(H,14,16)/t9-/m0/s1
InChIKeyUNPDFDSZXIRIEB-VIFPVBQESA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]carbamate?
The IUPAC name of tert-butyl N-[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]carbamate (CID 97184680) is tert-butyl N-[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]carbamate?
The canonical SMILES for tert-butyl N-[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1CCCc2cn[nH]c21.
What is the InChIKey of tert-butyl N-[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]carbamate?
The InChIKey is UNPDFDSZXIRIEB-VIFPVBQESA-N. The full InChI is InChI=1S/C12H19N3O2/c1-12(2,3)17-11(16)14-9-6-4-5-8-7-13-15-10(8)9/h7,9H,4-6H2,1-3H3,(H,13,15)(H,14,16)/t9-/m0/s1.
What are the key properties of tert-butyl N-[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]carbamate?
tert-butyl N-[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]carbamate has a molecular weight of 237.30 g/mol, XLogP of 2.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]carbamate is sourced from PubChem (CID 97184680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).