methyl 3a,4-dihydro-3H-pyrazolo[1,5-a]indole-2-carboxylate

C12H12N2O2 — CID 12727543

IUPACmethyl 3a,4-dihydro-3H-pyrazolo[1,5-a]indole-2-carboxylate
SMILESCOC(=O)C1=NN2c3ccccc3CC2C1
InChIInChI=1S/C12H12N2O2/c1-16-12(15)10-7-9-6-8-4-2-3-5-11(8)14(9)13-10/h2-5,9H,6-7H2,1H3
InChIKeyWPLRNUIGENZBHI-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.35
Rot. Bonds1

About methyl 3a,4-dihydro-3H-pyrazolo[1,5-a]indole-2-carboxylate

methyl 3a,4-dihydro-3H-pyrazolo[1,5-a]indole-2-carboxylate (PubChem CID 12727543) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is methyl 3a,4-dihydro-3H-pyrazolo[1,5-a]indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 3a,4-dihydro-3H-pyrazolo[1,5-a]indole-2-carboxylate
PubChem CID12727543
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Namemethyl 3a,4-dihydro-3H-pyrazolo[1,5-a]indole-2-carboxylate
SMILESCOC(=O)C1=NN2c3ccccc3CC2C1
InChIInChI=1S/C12H12N2O2/c1-16-12(15)10-7-9-6-8-4-2-3-5-11(8)14(9)13-10/h2-5,9H,6-7H2,1H3
InChIKeyWPLRNUIGENZBHI-UHFFFAOYSA-N
XLogP1.35
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3a,4-dihydro-3H-pyrazolo[1,5-a]indole-2-carboxylate?
The IUPAC name of methyl 3a,4-dihydro-3H-pyrazolo[1,5-a]indole-2-carboxylate (CID 12727543) is methyl 3a,4-dihydro-3H-pyrazolo[1,5-a]indole-2-carboxylate.
What is the SMILES notation for methyl 3a,4-dihydro-3H-pyrazolo[1,5-a]indole-2-carboxylate?
The canonical SMILES for methyl 3a,4-dihydro-3H-pyrazolo[1,5-a]indole-2-carboxylate is COC(=O)C1=NN2c3ccccc3CC2C1.
What is the InChIKey of methyl 3a,4-dihydro-3H-pyrazolo[1,5-a]indole-2-carboxylate?
The InChIKey is WPLRNUIGENZBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-16-12(15)10-7-9-6-8-4-2-3-5-11(8)14(9)13-10/h2-5,9H,6-7H2,1H3.
What are the key properties of methyl 3a,4-dihydro-3H-pyrazolo[1,5-a]indole-2-carboxylate?
methyl 3a,4-dihydro-3H-pyrazolo[1,5-a]indole-2-carboxylate has a molecular weight of 216.24 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3a,4-dihydro-3H-pyrazolo[1,5-a]indole-2-carboxylate is sourced from PubChem (CID 12727543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).