methyl 1-(2-pyrazol-1-ylethyl)azetidine-2-carboxylate

C10H15N3O2 — CID 112581379

IUPACmethyl 1-(2-pyrazol-1-ylethyl)azetidine-2-carboxylate
SMILESCOC(=O)C1CCN1CCn1cccn1
InChIInChI=1S/C10H15N3O2/c1-15-10(14)9-3-6-12(9)7-8-13-5-2-4-11-13/h2,4-5,9H,3,6-8H2,1H3
InChIKeyKWVXELCMQAUXKB-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.13
Rot. Bonds4

About methyl 1-(2-pyrazol-1-ylethyl)azetidine-2-carboxylate

methyl 1-(2-pyrazol-1-ylethyl)azetidine-2-carboxylate (PubChem CID 112581379) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is methyl 1-(2-pyrazol-1-ylethyl)azetidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-pyrazol-1-ylethyl)azetidine-2-carboxylate
PubChem CID112581379
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Namemethyl 1-(2-pyrazol-1-ylethyl)azetidine-2-carboxylate
SMILESCOC(=O)C1CCN1CCn1cccn1
InChIInChI=1S/C10H15N3O2/c1-15-10(14)9-3-6-12(9)7-8-13-5-2-4-11-13/h2,4-5,9H,3,6-8H2,1H3
InChIKeyKWVXELCMQAUXKB-UHFFFAOYSA-N
XLogP0.13
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-pyrazol-1-ylethyl)azetidine-2-carboxylate?
The IUPAC name of methyl 1-(2-pyrazol-1-ylethyl)azetidine-2-carboxylate (CID 112581379) is methyl 1-(2-pyrazol-1-ylethyl)azetidine-2-carboxylate.
What is the SMILES notation for methyl 1-(2-pyrazol-1-ylethyl)azetidine-2-carboxylate?
The canonical SMILES for methyl 1-(2-pyrazol-1-ylethyl)azetidine-2-carboxylate is COC(=O)C1CCN1CCn1cccn1.
What is the InChIKey of methyl 1-(2-pyrazol-1-ylethyl)azetidine-2-carboxylate?
The InChIKey is KWVXELCMQAUXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-15-10(14)9-3-6-12(9)7-8-13-5-2-4-11-13/h2,4-5,9H,3,6-8H2,1H3.
What are the key properties of methyl 1-(2-pyrazol-1-ylethyl)azetidine-2-carboxylate?
methyl 1-(2-pyrazol-1-ylethyl)azetidine-2-carboxylate has a molecular weight of 209.25 g/mol, XLogP of 0.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-pyrazol-1-ylethyl)azetidine-2-carboxylate is sourced from PubChem (CID 112581379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).