2-[3,5-dimethyl-4-[[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]methyl]pyrazol-1-yl]ethanol

C20H29N3O — CID 95582519

IUPAC2-[3,5-dimethyl-4-[[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]methyl]pyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CN[C@H](C)c1ccc2c(c1)CCCC2
InChIInChI=1S/C20H29N3O/c1-14(18-9-8-17-6-4-5-7-19(17)12-18)21-13-20-15(2)22-23(10-11-24)16(20)3/h8-9,12,14,21,24H,4-7,10-11,13H2,1-3H3/t14-/m1/s1
InChIKeySLKXBBFRFDYGEJ-CQSZACIVSA-N
MW327.47 g/mol
LogP3.22
Rot. Bonds6

About 2-[3,5-dimethyl-4-[[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]methyl]pyrazol-1-yl]ethanol

2-[3,5-dimethyl-4-[[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]methyl]pyrazol-1-yl]ethanol (PubChem CID 95582519) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is 2-[3,5-dimethyl-4-[[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]methyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3,5-dimethyl-4-[[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]methyl]pyrazol-1-yl]ethanol
PubChem CID95582519
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name2-[3,5-dimethyl-4-[[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]methyl]pyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CN[C@H](C)c1ccc2c(c1)CCCC2
InChIInChI=1S/C20H29N3O/c1-14(18-9-8-17-6-4-5-7-19(17)12-18)21-13-20-15(2)22-23(10-11-24)16(20)3/h8-9,12,14,21,24H,4-7,10-11,13H2,1-3H3/t14-/m1/s1
InChIKeySLKXBBFRFDYGEJ-CQSZACIVSA-N
XLogP3.22
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethanol
CID 43151079
2-[4-[[[1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
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2-[3,5-dimethyl-4-[(3-methylbutan-2-ylamino)methyl]pyrazol-1-yl]ethanol
CID 110905540
2-[4-[[[(4-chlorophenyl)-cyclopropylmethyl]amino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 47611292
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 60695990
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CID 95733883
2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propane-1,3-diol
CID 50973028
2-[4-[[1-(1-ethylbenzimidazol-2-yl)ethylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 110908367
N-[(4-fluorophenyl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43079812
N-(furan-3-ylmethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 62999731
N-(2-imidazol-1-ylethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 60695962
N-[(2-methylpyrimidin-4-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 61015757

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-4-[[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]methyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[3,5-dimethyl-4-[[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]methyl]pyrazol-1-yl]ethanol (CID 95582519) is 2-[3,5-dimethyl-4-[[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]methyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3,5-dimethyl-4-[[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]methyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3,5-dimethyl-4-[[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]methyl]pyrazol-1-yl]ethanol is Cc1nn(CCO)c(C)c1CN[C@H](C)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-[3,5-dimethyl-4-[[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]methyl]pyrazol-1-yl]ethanol?
The InChIKey is SLKXBBFRFDYGEJ-CQSZACIVSA-N. The full InChI is InChI=1S/C20H29N3O/c1-14(18-9-8-17-6-4-5-7-19(17)12-18)21-13-20-15(2)22-23(10-11-24)16(20)3/h8-9,12,14,21,24H,4-7,10-11,13H2,1-3H3/t14-/m1/s1.
What are the key properties of 2-[3,5-dimethyl-4-[[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]methyl]pyrazol-1-yl]ethanol?
2-[3,5-dimethyl-4-[[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]methyl]pyrazol-1-yl]ethanol has a molecular weight of 327.47 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-4-[[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]methyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 95582519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).