1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-(2-methoxyethylamino)-2-methylbutan-2-ol

C14H26ClN3O2 — CID 66001097

IUPAC1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-(2-methoxyethylamino)-2-methylbutan-2-ol
SMILESCCn1nc(C)c(Cl)c1CC(C)(O)CCNCCOC
InChIInChI=1S/C14H26ClN3O2/c1-5-18-12(13(15)11(2)17-18)10-14(3,19)6-7-16-8-9-20-4/h16,19H,5-10H2,1-4H3
InChIKeyUAOZWDDTBUOPOZ-UHFFFAOYSA-N
MW303.83 g/mol
LogP1.78
Rot. Bonds9

About 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-(2-methoxyethylamino)-2-methylbutan-2-ol

1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-(2-methoxyethylamino)-2-methylbutan-2-ol (PubChem CID 66001097) has the molecular formula C14H26ClN3O2 and a molecular weight of 303.83 g/mol. Its IUPAC name is 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-(2-methoxyethylamino)-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-(2-methoxyethylamino)-2-methylbutan-2-ol
PubChem CID66001097
Molecular FormulaC14H26ClN3O2
Molecular Weight303.83 g/mol
Exact Mass303.17
IUPAC Name1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-(2-methoxyethylamino)-2-methylbutan-2-ol
SMILESCCn1nc(C)c(Cl)c1CC(C)(O)CCNCCOC
InChIInChI=1S/C14H26ClN3O2/c1-5-18-12(13(15)11(2)17-18)10-14(3,19)6-7-16-8-9-20-4/h16,19H,5-10H2,1-4H3
InChIKeyUAOZWDDTBUOPOZ-UHFFFAOYSA-N
XLogP1.78
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-(2-methoxyethylamino)-2-methylbutan-2-ol?
The IUPAC name of 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-(2-methoxyethylamino)-2-methylbutan-2-ol (CID 66001097) is 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-(2-methoxyethylamino)-2-methylbutan-2-ol.
What is the SMILES notation for 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-(2-methoxyethylamino)-2-methylbutan-2-ol?
The canonical SMILES for 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-(2-methoxyethylamino)-2-methylbutan-2-ol is CCn1nc(C)c(Cl)c1CC(C)(O)CCNCCOC.
What is the InChIKey of 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-(2-methoxyethylamino)-2-methylbutan-2-ol?
The InChIKey is UAOZWDDTBUOPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26ClN3O2/c1-5-18-12(13(15)11(2)17-18)10-14(3,19)6-7-16-8-9-20-4/h16,19H,5-10H2,1-4H3.
What are the key properties of 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-(2-methoxyethylamino)-2-methylbutan-2-ol?
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-(2-methoxyethylamino)-2-methylbutan-2-ol has a molecular weight of 303.83 g/mol, XLogP of 1.78, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-(2-methoxyethylamino)-2-methylbutan-2-ol is sourced from PubChem (CID 66001097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).