2-[5-(chloromethyl)-3-ethoxy-4-methylpyrazol-1-yl]propan-1-ol

C10H17ClN2O2 — CID 178135932

IUPAC2-[5-(chloromethyl)-3-ethoxy-4-methylpyrazol-1-yl]propan-1-ol
SMILESCCOc1nn(C(C)CO)c(CCl)c1C
InChIInChI=1S/C10H17ClN2O2/c1-4-15-10-8(3)9(5-11)13(12-10)7(2)6-14/h7,14H,4-6H2,1-3H3
InChIKeyYVVKSKFLJAIDSJ-UHFFFAOYSA-N
MW232.71 g/mol
LogP1.88
Rot. Bonds5

About 2-[5-(chloromethyl)-3-ethoxy-4-methylpyrazol-1-yl]propan-1-ol

2-[5-(chloromethyl)-3-ethoxy-4-methylpyrazol-1-yl]propan-1-ol (PubChem CID 178135932) has the molecular formula C10H17ClN2O2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 2-[5-(chloromethyl)-3-ethoxy-4-methylpyrazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name2-[5-(chloromethyl)-3-ethoxy-4-methylpyrazol-1-yl]propan-1-ol
PubChem CID178135932
Molecular FormulaC10H17ClN2O2
Molecular Weight232.71 g/mol
Exact Mass232.10
IUPAC Name2-[5-(chloromethyl)-3-ethoxy-4-methylpyrazol-1-yl]propan-1-ol
SMILESCCOc1nn(C(C)CO)c(CCl)c1C
InChIInChI=1S/C10H17ClN2O2/c1-4-15-10-8(3)9(5-11)13(12-10)7(2)6-14/h7,14H,4-6H2,1-3H3
InChIKeyYVVKSKFLJAIDSJ-UHFFFAOYSA-N
XLogP1.88
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(chloromethyl)-3-ethoxy-4-methylpyrazol-1-yl]propan-1-ol?
The IUPAC name of 2-[5-(chloromethyl)-3-ethoxy-4-methylpyrazol-1-yl]propan-1-ol (CID 178135932) is 2-[5-(chloromethyl)-3-ethoxy-4-methylpyrazol-1-yl]propan-1-ol.
What is the SMILES notation for 2-[5-(chloromethyl)-3-ethoxy-4-methylpyrazol-1-yl]propan-1-ol?
The canonical SMILES for 2-[5-(chloromethyl)-3-ethoxy-4-methylpyrazol-1-yl]propan-1-ol is CCOc1nn(C(C)CO)c(CCl)c1C.
What is the InChIKey of 2-[5-(chloromethyl)-3-ethoxy-4-methylpyrazol-1-yl]propan-1-ol?
The InChIKey is YVVKSKFLJAIDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2O2/c1-4-15-10-8(3)9(5-11)13(12-10)7(2)6-14/h7,14H,4-6H2,1-3H3.
What are the key properties of 2-[5-(chloromethyl)-3-ethoxy-4-methylpyrazol-1-yl]propan-1-ol?
2-[5-(chloromethyl)-3-ethoxy-4-methylpyrazol-1-yl]propan-1-ol has a molecular weight of 232.71 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(chloromethyl)-3-ethoxy-4-methylpyrazol-1-yl]propan-1-ol is sourced from PubChem (CID 178135932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).