1-[[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]methyl]-2,3-dihydroinden-1-ol

C19H27N3O — CID 109482547

IUPAC1-[[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]methyl]-2,3-dihydroinden-1-ol
SMILESCCc1nn(C)c(CC)c1CNCC1(O)CCc2ccccc21
InChIInChI=1S/C19H27N3O/c1-4-17-15(18(5-2)22(3)21-17)12-20-13-19(23)11-10-14-8-6-7-9-16(14)19/h6-9,20,23H,4-5,10-13H2,1-3H3
InChIKeyOXMMHZKZKIDOTK-UHFFFAOYSA-N
MW313.45 g/mol
LogP2.47
Rot. Bonds6

About 1-[[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]methyl]-2,3-dihydroinden-1-ol

1-[[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]methyl]-2,3-dihydroinden-1-ol (PubChem CID 109482547) has the molecular formula C19H27N3O and a molecular weight of 313.45 g/mol. Its IUPAC name is 1-[[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]methyl]-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-[[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]methyl]-2,3-dihydroinden-1-ol
PubChem CID109482547
Molecular FormulaC19H27N3O
Molecular Weight313.45 g/mol
Exact Mass313.22
IUPAC Name1-[[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]methyl]-2,3-dihydroinden-1-ol
SMILESCCc1nn(C)c(CC)c1CNCC1(O)CCc2ccccc21
InChIInChI=1S/C19H27N3O/c1-4-17-15(18(5-2)22(3)21-17)12-20-13-19(23)11-10-14-8-6-7-9-16(14)19/h6-9,20,23H,4-5,10-13H2,1-3H3
InChIKeyOXMMHZKZKIDOTK-UHFFFAOYSA-N
XLogP2.47
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol
CID 109481925
1-[[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]-2,3-dihydroinden-1-ol
CID 109482548
1-(propylaminomethyl)-2,3-dihydroinden-1-ol
CID 62772754
(1R,2S)-1-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-2,3-dihydro-1H-inden-2-ol
CID 109479954
1-[[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol
CID 111110353
2-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-1-(2-fluorophenyl)ethanol
CID 109479705
ethane;1-ethyl-2,3-dihydroinden-1-ol
CID 90872603
(1S)-1-[[(2-morpholin-4-yl-1,3-thiazol-5-yl)methylamino]methyl]-2,3-dihydroinden-1-ol
CID 99632295
5-benzyl-N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 100674495
N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-1-[(2S,3R)-2-phenyloxolan-3-yl]methanamine
CID 129005053
1-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 111110415
1-[[(3-methylfuran-2-yl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol
CID 111466662

Frequently Asked Questions

What is the IUPAC name of 1-[[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]methyl]-2,3-dihydroinden-1-ol?
The IUPAC name of 1-[[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]methyl]-2,3-dihydroinden-1-ol (CID 109482547) is 1-[[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]methyl]-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-[[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]methyl]-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-[[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]methyl]-2,3-dihydroinden-1-ol is CCc1nn(C)c(CC)c1CNCC1(O)CCc2ccccc21.
What is the InChIKey of 1-[[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]methyl]-2,3-dihydroinden-1-ol?
The InChIKey is OXMMHZKZKIDOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-4-17-15(18(5-2)22(3)21-17)12-20-13-19(23)11-10-14-8-6-7-9-16(14)19/h6-9,20,23H,4-5,10-13H2,1-3H3.
What are the key properties of 1-[[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]methyl]-2,3-dihydroinden-1-ol?
1-[[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]methyl]-2,3-dihydroinden-1-ol has a molecular weight of 313.45 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]methyl]-2,3-dihydroinden-1-ol is sourced from PubChem (CID 109482547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).