1-[[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol

C19H27N3O — CID 75469015

IUPAC1-[[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol
SMILESCC(NCC1(O)CCCc2ccccc21)c1cnn(C(C)C)c1
InChIInChI=1S/C19H27N3O/c1-14(2)22-12-17(11-21-22)15(3)20-13-19(23)10-6-8-16-7-4-5-9-18(16)19/h4-5,7,9,11-12,14-15,20,23H,6,8,10,13H2,1-3H3
InChIKeyXTXPPEICVCQWLD-UHFFFAOYSA-N
MW313.45 g/mol
LogP3.34
Rot. Bonds5

About 1-[[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol

1-[[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol (PubChem CID 75469015) has the molecular formula C19H27N3O and a molecular weight of 313.45 g/mol. Its IUPAC name is 1-[[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol.

Molecular Properties

Compound Name1-[[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol
PubChem CID75469015
Molecular FormulaC19H27N3O
Molecular Weight313.45 g/mol
Exact Mass313.22
IUPAC Name1-[[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol
SMILESCC(NCC1(O)CCCc2ccccc21)c1cnn(C(C)C)c1
InChIInChI=1S/C19H27N3O/c1-14(2)22-12-17(11-21-22)15(3)20-13-19(23)10-6-8-16-7-4-5-9-18(16)19/h4-5,7,9,11-12,14-15,20,23H,6,8,10,13H2,1-3H3
InChIKeyXTXPPEICVCQWLD-UHFFFAOYSA-N
XLogP3.34
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol with MolForge

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Related Compounds

4-(1-Propan-2-ylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-9-ol
CID 59492602
1-(3,4-Dimethylphenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
CID 48076344
1-(3,4-Dimethylphenyl)-2-(2-pyrazol-1-ylethylamino)ethanol
CID 56780909
N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-2-(4-methylpyrazol-1-yl)acetamide
CID 72002801
1-(3,4-Dimethylphenyl)-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanol
CID 53594284
N-[[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-1-methylpyrazole-4-sulfonamide
CID 97075661
1-ethyl-N-[[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]pyrazole-4-sulfonamide
CID 97239309
[(1S)-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]-3,4-dihydro-2H-naphthalen-1-yl]methanol
CID 125141383
2-Pyrazol-1-yl-1,1-bis[4-(trifluoromethyl)phenyl]propan-1-ol
CID 13504100
1-(3,4-Difluorophenyl)-2-(4-fluoropyrazol-1-yl)-1-(4-methylphenyl)propan-1-ol
CID 118080389
1-{amino[3-(1-ethyl-1H-pyrazol-4-yl)phenyl]methyl}-4,4-difluorocyclohexanol
CID 121280902
1-[[3-(1-Ethylpyrazol-4-yl)phenyl]-(prop-2-enylamino)methyl]-4,4-difluorocyclohexan-1-ol
CID 121281147

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol?
The IUPAC name of 1-[[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol (CID 75469015) is 1-[[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol.
What is the SMILES notation for 1-[[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol?
The canonical SMILES for 1-[[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol is CC(NCC1(O)CCCc2ccccc21)c1cnn(C(C)C)c1.
What is the InChIKey of 1-[[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol?
The InChIKey is XTXPPEICVCQWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-14(2)22-12-17(11-21-22)15(3)20-13-19(23)10-6-8-16-7-4-5-9-18(16)19/h4-5,7,9,11-12,14-15,20,23H,6,8,10,13H2,1-3H3.
What are the key properties of 1-[[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol?
1-[[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol has a molecular weight of 313.45 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol is sourced from PubChem (CID 75469015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).