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

C11H17N3O2 — CID 164637725

IUPAC3-methyl-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]oxetane-3-carboxamide
SMILESC[C@H](NC(=O)C1(C)COC1)c1ccn(C)n1
InChIInChI=1S/C11H17N3O2/c1-8(9-4-5-14(3)13-9)12-10(15)11(2)6-16-7-11/h4-5,8H,6-7H2,1-3H3,(H,12,15)/t8-/m0/s1
InChIKeyOBVGRAAKCQURDL-QMMMGPOBSA-N
MW223.28 g/mol
LogP0.63
Rot. Bonds3

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

3-methyl-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]oxetane-3-carboxamide (PubChem CID 164637725) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-methyl-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]oxetane-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]oxetane-3-carboxamide
PubChem CID164637725
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3-methyl-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]oxetane-3-carboxamide
SMILESC[C@H](NC(=O)C1(C)COC1)c1ccn(C)n1
InChIInChI=1S/C11H17N3O2/c1-8(9-4-5-14(3)13-9)12-10(15)11(2)6-16-7-11/h4-5,8H,6-7H2,1-3H3,(H,12,15)/t8-/m0/s1
InChIKeyOBVGRAAKCQURDL-QMMMGPOBSA-N
XLogP0.63
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]oxetane-3-carboxamide?
The IUPAC name of 3-methyl-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]oxetane-3-carboxamide (CID 164637725) is 3-methyl-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]oxetane-3-carboxamide.
What is the SMILES notation for 3-methyl-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]oxetane-3-carboxamide?
The canonical SMILES for 3-methyl-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]oxetane-3-carboxamide is C[C@H](NC(=O)C1(C)COC1)c1ccn(C)n1.
What is the InChIKey of 3-methyl-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]oxetane-3-carboxamide?
The InChIKey is OBVGRAAKCQURDL-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8(9-4-5-14(3)13-9)12-10(15)11(2)6-16-7-11/h4-5,8H,6-7H2,1-3H3,(H,12,15)/t8-/m0/s1.
What are the key properties of 3-methyl-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]oxetane-3-carboxamide?
3-methyl-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]oxetane-3-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1S)-1-(1-methylpyrazol-3-yl)ethyl]oxetane-3-carboxamide is sourced from PubChem (CID 164637725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).