(2R,3aR)-2-methyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]indole

C11H14N2 — CID 102058923

IUPAC(2R,3aR)-2-methyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]indole
SMILESC[C@@H]1C[C@H]2Cc3ccccc3N2N1
InChIInChI=1S/C11H14N2/c1-8-6-10-7-9-4-2-3-5-11(9)13(10)12-8/h2-5,8,10,12H,6-7H2,1H3/t8-,10+/m1/s1
InChIKeyWKQNVGNLQUPLBN-SCZZXKLOSA-N
MW174.25 g/mol
LogP1.71
Rot. Bonds

About (2R,3aR)-2-methyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]indole

(2R,3aR)-2-methyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]indole (PubChem CID 102058923) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is (2R,3aR)-2-methyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]indole.

Molecular Properties

Compound Name(2R,3aR)-2-methyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]indole
PubChem CID102058923
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name(2R,3aR)-2-methyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]indole
SMILESC[C@@H]1C[C@H]2Cc3ccccc3N2N1
InChIInChI=1S/C11H14N2/c1-8-6-10-7-9-4-2-3-5-11(9)13(10)12-8/h2-5,8,10,12H,6-7H2,1H3/t8-,10+/m1/s1
InChIKeyWKQNVGNLQUPLBN-SCZZXKLOSA-N
XLogP1.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3aS)-2-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole
CID 11298239
(2R)-1-iodo-2-methyl-2,3-dihydroindole
CID 142057461
(3S)-1,3-dimethyl-3,4-dihydro-2H-quinoline
CID 40526138
2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole
CID 11744913
1-cyclohexyl-2-methyl-2,3-dihydroindole
CID 54011888
1,3,3a,4-tetrahydro-[1,3]oxazolo[3,4-a]indole
CID 91019399
CID 119080553
CID 119080553
3-(2-methyl-2,3-dihydroindol-1-yl)cyclopentan-1-amine
CID 79464627
(11S)-11-methyl-10-(2-methylphenyl)-1,10-diazatricyclo[7.2.2.02,7]trideca-2,4,6-triene
CID 137454239
2,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-3-one
CID 115107523
(2R)-2-methyl-2,3-dihydroindole-1-carbaldehyde
CID 141029511
1-methyl-2,3-dihydroindol-2-ol
CID 70661566

Frequently Asked Questions

What is the IUPAC name of (2R,3aR)-2-methyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]indole?
The IUPAC name of (2R,3aR)-2-methyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]indole (CID 102058923) is (2R,3aR)-2-methyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]indole.
What is the SMILES notation for (2R,3aR)-2-methyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]indole?
The canonical SMILES for (2R,3aR)-2-methyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]indole is C[C@@H]1C[C@H]2Cc3ccccc3N2N1.
What is the InChIKey of (2R,3aR)-2-methyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]indole?
The InChIKey is WKQNVGNLQUPLBN-SCZZXKLOSA-N. The full InChI is InChI=1S/C11H14N2/c1-8-6-10-7-9-4-2-3-5-11(9)13(10)12-8/h2-5,8,10,12H,6-7H2,1H3/t8-,10+/m1/s1.
What are the key properties of (2R,3aR)-2-methyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]indole?
(2R,3aR)-2-methyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]indole has a molecular weight of 174.25 g/mol, XLogP of 1.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aR)-2-methyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]indole is sourced from PubChem (CID 102058923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).