4-(2-methoxyethoxy)-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol

C15H28N2O3 — CID 102927552

IUPAC4-(2-methoxyethoxy)-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol
SMILESCCC(CC)n1ccc(CC(O)CCOCCOC)n1
InChIInChI=1S/C15H28N2O3/c1-4-14(5-2)17-8-6-13(16-17)12-15(18)7-9-20-11-10-19-3/h6,8,14-15,18H,4-5,7,9-12H2,1-3H3
InChIKeyRCGXOPRHJUIXFB-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.20
Rot. Bonds11

About 4-(2-methoxyethoxy)-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol

4-(2-methoxyethoxy)-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol (PubChem CID 102927552) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol
PubChem CID102927552
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name4-(2-methoxyethoxy)-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol
SMILESCCC(CC)n1ccc(CC(O)CCOCCOC)n1
InChIInChI=1S/C15H28N2O3/c1-4-14(5-2)17-8-6-13(16-17)12-15(18)7-9-20-11-10-19-3/h6,8,14-15,18H,4-5,7,9-12H2,1-3H3
InChIKeyRCGXOPRHJUIXFB-UHFFFAOYSA-N
XLogP2.20
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785470
N-(2-methoxyethoxy)-1-(1-pentan-3-ylpyrazol-3-yl)methanamine
CID 82722023
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785051
4-methoxy-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-one
CID 64783167
4-methoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylbutan-2-amine
CID 64779388
4-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol
CID 64777271
1-(1-pentan-3-ylpyrazol-3-yl)-3-phenoxypropan-2-ol
CID 64785290
1-(1-pentan-3-ylpyrazol-3-yl)-3-propylhexan-2-ol
CID 115808024
1-tert-butylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 65133710
1-(1-pentan-3-ylpyrazol-3-yl)-3-pyridin-2-ylpropan-2-ol
CID 64784536
N-(2-methoxyethyl)-3-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-1-amine
CID 64778111
1-(2-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785116

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol?
The IUPAC name of 4-(2-methoxyethoxy)-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol (CID 102927552) is 4-(2-methoxyethoxy)-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol.
What is the SMILES notation for 4-(2-methoxyethoxy)-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol?
The canonical SMILES for 4-(2-methoxyethoxy)-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol is CCC(CC)n1ccc(CC(O)CCOCCOC)n1.
What is the InChIKey of 4-(2-methoxyethoxy)-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol?
The InChIKey is RCGXOPRHJUIXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-14(5-2)17-8-6-13(16-17)12-15(18)7-9-20-11-10-19-3/h6,8,14-15,18H,4-5,7,9-12H2,1-3H3.
What are the key properties of 4-(2-methoxyethoxy)-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol?
4-(2-methoxyethoxy)-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol has a molecular weight of 284.40 g/mol, XLogP of 2.20, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol is sourced from PubChem (CID 102927552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).