(3R,4R)-4-[2-(5-methyl-1-propylpyrazol-3-yl)-2-oxoethyl]-3-propan-2-ylazetidin-2-one

C15H23N3O2 — CID 59096110

IUPAC(3R,4R)-4-[2-(5-methyl-1-propylpyrazol-3-yl)-2-oxoethyl]-3-propan-2-ylazetidin-2-one
SMILESCCCn1nc(C(=O)C[C@H]2NC(=O)[C@@H]2C(C)C)cc1C
InChIInChI=1S/C15H23N3O2/c1-5-6-18-10(4)7-11(17-18)13(19)8-12-14(9(2)3)15(20)16-12/h7,9,12,14H,5-6,8H2,1-4H3,(H,16,20)/t12-,14-/m1/s1
InChIKeyRBZDSMHYLWDEMD-TZMCWYRMSA-N
MW277.37 g/mol
LogP1.94
Rot. Bonds6

About (3R,4R)-4-[2-(5-methyl-1-propylpyrazol-3-yl)-2-oxoethyl]-3-propan-2-ylazetidin-2-one

(3R,4R)-4-[2-(5-methyl-1-propylpyrazol-3-yl)-2-oxoethyl]-3-propan-2-ylazetidin-2-one (PubChem CID 59096110) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is (3R,4R)-4-[2-(5-methyl-1-propylpyrazol-3-yl)-2-oxoethyl]-3-propan-2-ylazetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-4-[2-(5-methyl-1-propylpyrazol-3-yl)-2-oxoethyl]-3-propan-2-ylazetidin-2-one
PubChem CID59096110
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name(3R,4R)-4-[2-(5-methyl-1-propylpyrazol-3-yl)-2-oxoethyl]-3-propan-2-ylazetidin-2-one
SMILESCCCn1nc(C(=O)C[C@H]2NC(=O)[C@@H]2C(C)C)cc1C
InChIInChI=1S/C15H23N3O2/c1-5-6-18-10(4)7-11(17-18)13(19)8-12-14(9(2)3)15(20)16-12/h7,9,12,14H,5-6,8H2,1-4H3,(H,16,20)/t12-,14-/m1/s1
InChIKeyRBZDSMHYLWDEMD-TZMCWYRMSA-N
XLogP1.94
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-[2-(5-methyl-1-propylpyrazol-3-yl)-2-oxoethyl]-3-propan-2-ylazetidin-2-one?
The IUPAC name of (3R,4R)-4-[2-(5-methyl-1-propylpyrazol-3-yl)-2-oxoethyl]-3-propan-2-ylazetidin-2-one (CID 59096110) is (3R,4R)-4-[2-(5-methyl-1-propylpyrazol-3-yl)-2-oxoethyl]-3-propan-2-ylazetidin-2-one.
What is the SMILES notation for (3R,4R)-4-[2-(5-methyl-1-propylpyrazol-3-yl)-2-oxoethyl]-3-propan-2-ylazetidin-2-one?
The canonical SMILES for (3R,4R)-4-[2-(5-methyl-1-propylpyrazol-3-yl)-2-oxoethyl]-3-propan-2-ylazetidin-2-one is CCCn1nc(C(=O)C[C@H]2NC(=O)[C@@H]2C(C)C)cc1C.
What is the InChIKey of (3R,4R)-4-[2-(5-methyl-1-propylpyrazol-3-yl)-2-oxoethyl]-3-propan-2-ylazetidin-2-one?
The InChIKey is RBZDSMHYLWDEMD-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-5-6-18-10(4)7-11(17-18)13(19)8-12-14(9(2)3)15(20)16-12/h7,9,12,14H,5-6,8H2,1-4H3,(H,16,20)/t12-,14-/m1/s1.
What are the key properties of (3R,4R)-4-[2-(5-methyl-1-propylpyrazol-3-yl)-2-oxoethyl]-3-propan-2-ylazetidin-2-one?
(3R,4R)-4-[2-(5-methyl-1-propylpyrazol-3-yl)-2-oxoethyl]-3-propan-2-ylazetidin-2-one has a molecular weight of 277.37 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-[2-(5-methyl-1-propylpyrazol-3-yl)-2-oxoethyl]-3-propan-2-ylazetidin-2-one is sourced from PubChem (CID 59096110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).