propan-2-yl 3-(3-ethyl-1-propan-2-ylpyrazol-5-yl)azetidine-1-carboxylate

C15H25N3O2 — CID 134316732

IUPACpropan-2-yl 3-(3-ethyl-1-propan-2-ylpyrazol-5-yl)azetidine-1-carboxylate
SMILESCCc1cc(C2CN(C(=O)OC(C)C)C2)n(C(C)C)n1
InChIInChI=1S/C15H25N3O2/c1-6-13-7-14(18(16-13)10(2)3)12-8-17(9-12)15(19)20-11(4)5/h7,10-12H,6,8-9H2,1-5H3
InChIKeyRBVMVQXISUKHTK-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.97
Rot. Bonds4

About propan-2-yl 3-(3-ethyl-1-propan-2-ylpyrazol-5-yl)azetidine-1-carboxylate

propan-2-yl 3-(3-ethyl-1-propan-2-ylpyrazol-5-yl)azetidine-1-carboxylate (PubChem CID 134316732) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is propan-2-yl 3-(3-ethyl-1-propan-2-ylpyrazol-5-yl)azetidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 3-(3-ethyl-1-propan-2-ylpyrazol-5-yl)azetidine-1-carboxylate
PubChem CID134316732
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Namepropan-2-yl 3-(3-ethyl-1-propan-2-ylpyrazol-5-yl)azetidine-1-carboxylate
SMILESCCc1cc(C2CN(C(=O)OC(C)C)C2)n(C(C)C)n1
InChIInChI=1S/C15H25N3O2/c1-6-13-7-14(18(16-13)10(2)3)12-8-17(9-12)15(19)20-11(4)5/h7,10-12H,6,8-9H2,1-5H3
InChIKeyRBVMVQXISUKHTK-UHFFFAOYSA-N
XLogP2.97
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-(3-ethyl-1-propan-2-ylpyrazol-5-yl)azetidine-1-carboxylate?
The IUPAC name of propan-2-yl 3-(3-ethyl-1-propan-2-ylpyrazol-5-yl)azetidine-1-carboxylate (CID 134316732) is propan-2-yl 3-(3-ethyl-1-propan-2-ylpyrazol-5-yl)azetidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 3-(3-ethyl-1-propan-2-ylpyrazol-5-yl)azetidine-1-carboxylate?
The canonical SMILES for propan-2-yl 3-(3-ethyl-1-propan-2-ylpyrazol-5-yl)azetidine-1-carboxylate is CCc1cc(C2CN(C(=O)OC(C)C)C2)n(C(C)C)n1.
What is the InChIKey of propan-2-yl 3-(3-ethyl-1-propan-2-ylpyrazol-5-yl)azetidine-1-carboxylate?
The InChIKey is RBVMVQXISUKHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-6-13-7-14(18(16-13)10(2)3)12-8-17(9-12)15(19)20-11(4)5/h7,10-12H,6,8-9H2,1-5H3.
What are the key properties of propan-2-yl 3-(3-ethyl-1-propan-2-ylpyrazol-5-yl)azetidine-1-carboxylate?
propan-2-yl 3-(3-ethyl-1-propan-2-ylpyrazol-5-yl)azetidine-1-carboxylate has a molecular weight of 279.38 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-(3-ethyl-1-propan-2-ylpyrazol-5-yl)azetidine-1-carboxylate is sourced from PubChem (CID 134316732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).