ethyl 3-(1-propan-2-yl-4,5,6,7-tetrahydroindazol-5-yl)propanoate

C15H24N2O2 — CID 162684775

IUPACethyl 3-(1-propan-2-yl-4,5,6,7-tetrahydroindazol-5-yl)propanoate
SMILESCCOC(=O)CCC1CCc2c(cnn2C(C)C)C1
InChIInChI=1S/C15H24N2O2/c1-4-19-15(18)8-6-12-5-7-14-13(9-12)10-16-17(14)11(2)3/h10-12H,4-9H2,1-3H3
InChIKeySCMYQTNIHFUVGT-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.91
Rot. Bonds5

About ethyl 3-(1-propan-2-yl-4,5,6,7-tetrahydroindazol-5-yl)propanoate

ethyl 3-(1-propan-2-yl-4,5,6,7-tetrahydroindazol-5-yl)propanoate (PubChem CID 162684775) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is ethyl 3-(1-propan-2-yl-4,5,6,7-tetrahydroindazol-5-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(1-propan-2-yl-4,5,6,7-tetrahydroindazol-5-yl)propanoate
PubChem CID162684775
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Nameethyl 3-(1-propan-2-yl-4,5,6,7-tetrahydroindazol-5-yl)propanoate
SMILESCCOC(=O)CCC1CCc2c(cnn2C(C)C)C1
InChIInChI=1S/C15H24N2O2/c1-4-19-15(18)8-6-12-5-7-14-13(9-12)10-16-17(14)11(2)3/h10-12H,4-9H2,1-3H3
InChIKeySCMYQTNIHFUVGT-UHFFFAOYSA-N
XLogP2.91
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(1-propan-2-yl-4,5,6,7-tetrahydroindazol-5-yl)propanoate?
The IUPAC name of ethyl 3-(1-propan-2-yl-4,5,6,7-tetrahydroindazol-5-yl)propanoate (CID 162684775) is ethyl 3-(1-propan-2-yl-4,5,6,7-tetrahydroindazol-5-yl)propanoate.
What is the SMILES notation for ethyl 3-(1-propan-2-yl-4,5,6,7-tetrahydroindazol-5-yl)propanoate?
The canonical SMILES for ethyl 3-(1-propan-2-yl-4,5,6,7-tetrahydroindazol-5-yl)propanoate is CCOC(=O)CCC1CCc2c(cnn2C(C)C)C1.
What is the InChIKey of ethyl 3-(1-propan-2-yl-4,5,6,7-tetrahydroindazol-5-yl)propanoate?
The InChIKey is SCMYQTNIHFUVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-19-15(18)8-6-12-5-7-14-13(9-12)10-16-17(14)11(2)3/h10-12H,4-9H2,1-3H3.
What are the key properties of ethyl 3-(1-propan-2-yl-4,5,6,7-tetrahydroindazol-5-yl)propanoate?
ethyl 3-(1-propan-2-yl-4,5,6,7-tetrahydroindazol-5-yl)propanoate has a molecular weight of 264.37 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(1-propan-2-yl-4,5,6,7-tetrahydroindazol-5-yl)propanoate is sourced from PubChem (CID 162684775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).