(2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol

C17H22N2O2 — CID 1094986

IUPAC(2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol
SMILESCc1cc(C)n(C[C@@H](O)COc2ccc3c(c2)CCC3)n1
InChIInChI=1S/C17H22N2O2/c1-12-8-13(2)19(18-12)10-16(20)11-21-17-7-6-14-4-3-5-15(14)9-17/h6-9,16,20H,3-5,10-11H2,1-2H3/t16-/m1/s1
InChIKeyQAIWHHRRYCGXJI-MRXNPFEDSA-N
MW286.38 g/mol
LogP2.43
Rot. Bonds5

About (2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol

(2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol (PubChem CID 1094986) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is (2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol
PubChem CID1094986
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name(2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol
SMILESCc1cc(C)n(C[C@@H](O)COc2ccc3c(c2)CCC3)n1
InChIInChI=1S/C17H22N2O2/c1-12-8-13(2)19(18-12)10-16(20)11-21-17-7-6-14-4-3-5-15(14)9-17/h6-9,16,20H,3-5,10-11H2,1-2H3/t16-/m1/s1
InChIKeyQAIWHHRRYCGXJI-MRXNPFEDSA-N
XLogP2.43
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(3,5-dimethylpyrazol-1-yl)-3-[4-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1099341
(2R)-1-(3,5-dimethylpyrazol-1-yl)-3-[3-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1203734
(2S)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-[4-[(2S)-3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 51629003
1-(3,5-dimethylpyrazol-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 15943427
1-(2,3-dihydro-1H-inden-5-yloxy)-3-piperazin-1-ylpropan-2-ol
CID 65449645
1-[3-(aminomethyl)phenoxy]-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol
CID 43531447
1-(2,3-dihydro-1H-inden-5-yloxy)-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol
CID 3412059
(2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-2-ol
CID 34065973
1-(2,3-dihydro-1H-inden-5-yloxy)pentan-2-ol
CID 62041508
(2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol
CID 7309443
(2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 762913
1-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-2,2,6,6-tetramethylpiperidin-4-ol
CID 3412062

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol?
The IUPAC name of (2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol (CID 1094986) is (2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol?
The canonical SMILES for (2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol is Cc1cc(C)n(C[C@@H](O)COc2ccc3c(c2)CCC3)n1.
What is the InChIKey of (2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol?
The InChIKey is QAIWHHRRYCGXJI-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-8-13(2)19(18-12)10-16(20)11-21-17-7-6-14-4-3-5-15(14)9-17/h6-9,16,20H,3-5,10-11H2,1-2H3/t16-/m1/s1.
What are the key properties of (2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol?
(2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol has a molecular weight of 286.38 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-(3,5-dimethylpyrazol-1-yl)propan-2-ol is sourced from PubChem (CID 1094986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).