3-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]oxetane-3-carboxamide

C11H17N3O2 — CID 122571650

IUPAC3-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]oxetane-3-carboxamide
SMILESCc1cnn(CCNC(=O)C2(C)COC2)c1
InChIInChI=1S/C11H17N3O2/c1-9-5-13-14(6-9)4-3-12-10(15)11(2)7-16-8-11/h5-6H,3-4,7-8H2,1-2H3,(H,12,15)
InChIKeyMOJDPIARIIQGMD-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.34
Rot. Bonds4

About 3-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]oxetane-3-carboxamide

3-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]oxetane-3-carboxamide (PubChem CID 122571650) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]oxetane-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]oxetane-3-carboxamide
PubChem CID122571650
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]oxetane-3-carboxamide
SMILESCc1cnn(CCNC(=O)C2(C)COC2)c1
InChIInChI=1S/C11H17N3O2/c1-9-5-13-14(6-9)4-3-12-10(15)11(2)7-16-8-11/h5-6H,3-4,7-8H2,1-2H3,(H,12,15)
InChIKeyMOJDPIARIIQGMD-UHFFFAOYSA-N
XLogP0.34
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]oxetane-3-carboxamide?
The IUPAC name of 3-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]oxetane-3-carboxamide (CID 122571650) is 3-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]oxetane-3-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]oxetane-3-carboxamide?
The canonical SMILES for 3-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]oxetane-3-carboxamide is Cc1cnn(CCNC(=O)C2(C)COC2)c1.
What is the InChIKey of 3-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]oxetane-3-carboxamide?
The InChIKey is MOJDPIARIIQGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-9-5-13-14(6-9)4-3-12-10(15)11(2)7-16-8-11/h5-6H,3-4,7-8H2,1-2H3,(H,12,15).
What are the key properties of 3-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]oxetane-3-carboxamide?
3-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]oxetane-3-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]oxetane-3-carboxamide is sourced from PubChem (CID 122571650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).