3-(chloromethyl)-1-methylpyrazole;(1-methylpyrazol-3-yl)methanol

C10H15ClN4O — CID 161321365

IUPAC3-(chloromethyl)-1-methylpyrazole;(1-methylpyrazol-3-yl)methanol
SMILESCn1ccc(CCl)n1.Cn1ccc(CO)n1
InChIInChI=1S/C5H7ClN2.C5H8N2O/c1-8-3-2-5(4-6)7-8;1-7-3-2-5(4-8)6-7/h2-3H,4H2,1H3;2-3,8H,4H2,1H3
InChIKeyVKENJCWLVGNLTR-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.07
Rot. Bonds2

About 3-(chloromethyl)-1-methylpyrazole;(1-methylpyrazol-3-yl)methanol

3-(chloromethyl)-1-methylpyrazole;(1-methylpyrazol-3-yl)methanol (PubChem CID 161321365) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is 3-(chloromethyl)-1-methylpyrazole;(1-methylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name3-(chloromethyl)-1-methylpyrazole;(1-methylpyrazol-3-yl)methanol
PubChem CID161321365
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name3-(chloromethyl)-1-methylpyrazole;(1-methylpyrazol-3-yl)methanol
SMILESCn1ccc(CCl)n1.Cn1ccc(CO)n1
InChIInChI=1S/C5H7ClN2.C5H8N2O/c1-8-3-2-5(4-6)7-8;1-7-3-2-5(4-8)6-7/h2-3H,4H2,1H3;2-3,8H,4H2,1H3
InChIKeyVKENJCWLVGNLTR-UHFFFAOYSA-N
XLogP1.07
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 3-(chloromethyl)-1-methylpyrazole;(1-methylpyrazol-3-yl)methanol?
The IUPAC name of 3-(chloromethyl)-1-methylpyrazole;(1-methylpyrazol-3-yl)methanol (CID 161321365) is 3-(chloromethyl)-1-methylpyrazole;(1-methylpyrazol-3-yl)methanol.
What is the SMILES notation for 3-(chloromethyl)-1-methylpyrazole;(1-methylpyrazol-3-yl)methanol?
The canonical SMILES for 3-(chloromethyl)-1-methylpyrazole;(1-methylpyrazol-3-yl)methanol is Cn1ccc(CCl)n1.Cn1ccc(CO)n1.
What is the InChIKey of 3-(chloromethyl)-1-methylpyrazole;(1-methylpyrazol-3-yl)methanol?
The InChIKey is VKENJCWLVGNLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2.C5H8N2O/c1-8-3-2-5(4-6)7-8;1-7-3-2-5(4-8)6-7/h2-3H,4H2,1H3;2-3,8H,4H2,1H3.
What are the key properties of 3-(chloromethyl)-1-methylpyrazole;(1-methylpyrazol-3-yl)methanol?
3-(chloromethyl)-1-methylpyrazole;(1-methylpyrazol-3-yl)methanol has a molecular weight of 242.71 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-1-methylpyrazole;(1-methylpyrazol-3-yl)methanol is sourced from PubChem (CID 161321365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).