1-cyclopentyloxy-3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propan-2-ol

C15H27N3O2 — CID 115989616

IUPAC1-cyclopentyloxy-3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propan-2-ol
SMILESCCc1nn(C)cc1CNCC(O)COC1CCCC1
InChIInChI=1S/C15H27N3O2/c1-3-15-12(10-18(2)17-15)8-16-9-13(19)11-20-14-6-4-5-7-14/h10,13-14,16,19H,3-9,11H2,1-2H3
InChIKeyBSTZLMSMKDHUQY-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.39
Rot. Bonds8

About 1-cyclopentyloxy-3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propan-2-ol

1-cyclopentyloxy-3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propan-2-ol (PubChem CID 115989616) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-cyclopentyloxy-3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyloxy-3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propan-2-ol
PubChem CID115989616
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name1-cyclopentyloxy-3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propan-2-ol
SMILESCCc1nn(C)cc1CNCC(O)COC1CCCC1
InChIInChI=1S/C15H27N3O2/c1-3-15-12(10-18(2)17-15)8-16-9-13(19)11-20-14-6-4-5-7-14/h10,13-14,16,19H,3-9,11H2,1-2H3
InChIKeyBSTZLMSMKDHUQY-UHFFFAOYSA-N
XLogP1.39
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-4,4-dimethylpentan-2-ol
CID 103893989
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cycloheptanamine
CID 112549120
1-cyclopentyloxy-3-[(3-ethyl-2-pyridinyl)methylamino]propan-2-ol
CID 82738008
1-cyclohexyloxy-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
CID 62119183
1-cyclopentyloxy-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propan-2-ol
CID 78989836
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 112549377
2-[[(3-cyclohexyloxy-2-hydroxypropyl)amino]methyl]phenol
CID 114331934
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,4-dimethylpentan-1-amine
CID 114200176
2-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol
CID 112549594
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylbutan-1-amine
CID 112549127
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 102810436
1-[(1,3-dimethylpyrazol-4-yl)methylamino]-3-(2-methylpropoxy)propan-2-ol
CID 109479903

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyloxy-3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propan-2-ol?
The IUPAC name of 1-cyclopentyloxy-3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propan-2-ol (CID 115989616) is 1-cyclopentyloxy-3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-cyclopentyloxy-3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-cyclopentyloxy-3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propan-2-ol is CCc1nn(C)cc1CNCC(O)COC1CCCC1.
What is the InChIKey of 1-cyclopentyloxy-3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propan-2-ol?
The InChIKey is BSTZLMSMKDHUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-3-15-12(10-18(2)17-15)8-16-9-13(19)11-20-14-6-4-5-7-14/h10,13-14,16,19H,3-9,11H2,1-2H3.
What are the key properties of 1-cyclopentyloxy-3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propan-2-ol?
1-cyclopentyloxy-3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propan-2-ol has a molecular weight of 281.40 g/mol, XLogP of 1.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyloxy-3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propan-2-ol is sourced from PubChem (CID 115989616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).