(1S,2R)-2-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl-methylamino]-2,3-dihydro-1H-inden-1-ol

C19H27N3O2 — CID 100674335

IUPAC(1S,2R)-2-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl-methylamino]-2,3-dihydro-1H-inden-1-ol
SMILESCOCCn1nc(C)c(CN(C)[C@@H]2Cc3ccccc3[C@@H]2O)c1C
InChIInChI=1S/C19H27N3O2/c1-13-17(14(2)22(20-13)9-10-24-4)12-21(3)18-11-15-7-5-6-8-16(15)19(18)23/h5-8,18-19,23H,9-12H2,1-4H3/t18-,19+/m1/s1
InChIKeyKZCORQUBNHRADC-MOPGFXCFSA-N
MW329.44 g/mol
LogP2.24
Rot. Bonds6

About (1S,2R)-2-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl-methylamino]-2,3-dihydro-1H-inden-1-ol

(1S,2R)-2-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl-methylamino]-2,3-dihydro-1H-inden-1-ol (PubChem CID 100674335) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is (1S,2R)-2-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl-methylamino]-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl-methylamino]-2,3-dihydro-1H-inden-1-ol
PubChem CID100674335
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name(1S,2R)-2-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl-methylamino]-2,3-dihydro-1H-inden-1-ol
SMILESCOCCn1nc(C)c(CN(C)[C@@H]2Cc3ccccc3[C@@H]2O)c1C
InChIInChI=1S/C19H27N3O2/c1-13-17(14(2)22(20-13)9-10-24-4)12-21(3)18-11-15-7-5-6-8-16(15)19(18)23/h5-8,18-19,23H,9-12H2,1-4H3/t18-,19+/m1/s1
InChIKeyKZCORQUBNHRADC-MOPGFXCFSA-N
XLogP2.24
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1-(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methanamine
CID 56884251
(1S,2R)-2-[2H-indazol-3-ylmethyl(methyl)amino]-2,3-dihydro-1H-inden-1-ol
CID 167906825
N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110960900
3-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-1,2-dimethyl-1-(2-phenoxyethyl)guanidine;hydroiodide
CID 111273730
1-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-3-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]urea
CID 86847204
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,3-dihydro-1H-inden-1-ol
CID 104564613
2-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111721465
2-cyclopropyl-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]pyrimidin-4-amine
CID 133299001
3-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-[(4-methoxyphenyl)methyl]-1,2-dimethylguanidine
CID 111272061
3-ethyl-2-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methyl-1-[(4-methylphenyl)methyl]guanidine
CID 111289845
N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 75382940
3-ethyl-2-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-1-methyl-1-[(4-methylsulfanylphenyl)methyl]guanidine;hydroiodide
CID 111299468

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl-methylamino]-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1S,2R)-2-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl-methylamino]-2,3-dihydro-1H-inden-1-ol (CID 100674335) is (1S,2R)-2-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl-methylamino]-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1S,2R)-2-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl-methylamino]-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1S,2R)-2-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl-methylamino]-2,3-dihydro-1H-inden-1-ol is COCCn1nc(C)c(CN(C)[C@@H]2Cc3ccccc3[C@@H]2O)c1C.
What is the InChIKey of (1S,2R)-2-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl-methylamino]-2,3-dihydro-1H-inden-1-ol?
The InChIKey is KZCORQUBNHRADC-MOPGFXCFSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-13-17(14(2)22(20-13)9-10-24-4)12-21(3)18-11-15-7-5-6-8-16(15)19(18)23/h5-8,18-19,23H,9-12H2,1-4H3/t18-,19+/m1/s1.
What are the key properties of (1S,2R)-2-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl-methylamino]-2,3-dihydro-1H-inden-1-ol?
(1S,2R)-2-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl-methylamino]-2,3-dihydro-1H-inden-1-ol has a molecular weight of 329.44 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl-methylamino]-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 100674335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).