ethyl (5S)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate

C10H14N2O2 — CID 86330706

IUPACethyl (5S)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
SMILESCCOC(=O)[C@H]1CCc2[nH]ncc2C1
InChIInChI=1S/C10H14N2O2/c1-2-14-10(13)7-3-4-9-8(5-7)6-11-12-9/h6-7H,2-5H2,1H3,(H,11,12)/t7-/m0/s1
InChIKeyOYSSLPZFSXHQEY-ZETCQYMHSA-N
MW194.23 g/mol
LogP1.08
Rot. Bonds2

About ethyl (5S)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate

ethyl (5S)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate (PubChem CID 86330706) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is ethyl (5S)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate.

Molecular Properties

Compound Nameethyl (5S)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
PubChem CID86330706
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Nameethyl (5S)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
SMILESCCOC(=O)[C@H]1CCc2[nH]ncc2C1
InChIInChI=1S/C10H14N2O2/c1-2-14-10(13)7-3-4-9-8(5-7)6-11-12-9/h6-7H,2-5H2,1H3,(H,11,12)/t7-/m0/s1
InChIKeyOYSSLPZFSXHQEY-ZETCQYMHSA-N
XLogP1.08
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl 4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
CID 167865934
2-(4,5,6,7-tetrahydro-1H-indazol-5-yl)acetamide
CID 142249158
methyl 4,5,6,7-tetrahydro-1H-indazole-6-carboxylate
CID 54595497
ethyl 3-oxo-5,6,7,8-tetrahydro-2H-cinnoline-6-carboxylate
CID 91811780
[2-(diethylamino)phenyl]methyl (6S)-4,5,6,7-tetrahydro-1H-indazole-6-carboxylate
CID 97255820
methyl (5R)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-5-carboxylate
CID 99996671
ethyl (4aR,7R,8aR)-5-propyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline-7-carboxylate
CID 90296633
ethyl 3-oxo-1,2,4,5,6,7-hexahydroindazole-5-carboxylate
CID 129009642
(6S)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide
CID 129322075
N-benzyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
CID 163295899
ethyl 1-(3-oxo-2H-1,2,4-triazin-5-yl)piperidine-4-carboxylate
CID 9124455
ethyl (5S)-1-benzyl-4,5,6,7-tetrahydroindazole-5-carboxylate
CID 129354303

Frequently Asked Questions

What is the IUPAC name of ethyl (5S)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate?
The IUPAC name of ethyl (5S)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate (CID 86330706) is ethyl (5S)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate.
What is the SMILES notation for ethyl (5S)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate?
The canonical SMILES for ethyl (5S)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate is CCOC(=O)[C@H]1CCc2[nH]ncc2C1.
What is the InChIKey of ethyl (5S)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate?
The InChIKey is OYSSLPZFSXHQEY-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-2-14-10(13)7-3-4-9-8(5-7)6-11-12-9/h6-7H,2-5H2,1H3,(H,11,12)/t7-/m0/s1.
What are the key properties of ethyl (5S)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate?
ethyl (5S)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate has a molecular weight of 194.23 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (5S)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate is sourced from PubChem (CID 86330706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).