(3-ethoxy-1-ethylpyrazol-4-yl)-(4-methylpiperidin-1-yl)methanone

C14H23N3O2 — CID 16925361

IUPAC(3-ethoxy-1-ethylpyrazol-4-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCCOc1nn(CC)cc1C(=O)N1CCC(C)CC1
InChIInChI=1S/C14H23N3O2/c1-4-17-10-12(13(15-17)19-5-2)14(18)16-8-6-11(3)7-9-16/h10-11H,4-9H2,1-3H3
InChIKeyFGZJJKRVBPHTKM-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.17
Rot. Bonds4

About (3-ethoxy-1-ethylpyrazol-4-yl)-(4-methylpiperidin-1-yl)methanone

(3-ethoxy-1-ethylpyrazol-4-yl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 16925361) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is (3-ethoxy-1-ethylpyrazol-4-yl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-ethoxy-1-ethylpyrazol-4-yl)-(4-methylpiperidin-1-yl)methanone
PubChem CID16925361
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name(3-ethoxy-1-ethylpyrazol-4-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCCOc1nn(CC)cc1C(=O)N1CCC(C)CC1
InChIInChI=1S/C14H23N3O2/c1-4-17-10-12(13(15-17)19-5-2)14(18)16-8-6-11(3)7-9-16/h10-11H,4-9H2,1-3H3
InChIKeyFGZJJKRVBPHTKM-UHFFFAOYSA-N
XLogP2.17
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-1-ethylpyrazol-4-yl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (3-ethoxy-1-ethylpyrazol-4-yl)-(4-methylpiperidin-1-yl)methanone (CID 16925361) is (3-ethoxy-1-ethylpyrazol-4-yl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-ethoxy-1-ethylpyrazol-4-yl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (3-ethoxy-1-ethylpyrazol-4-yl)-(4-methylpiperidin-1-yl)methanone is CCOc1nn(CC)cc1C(=O)N1CCC(C)CC1.
What is the InChIKey of (3-ethoxy-1-ethylpyrazol-4-yl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is FGZJJKRVBPHTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-17-10-12(13(15-17)19-5-2)14(18)16-8-6-11(3)7-9-16/h10-11H,4-9H2,1-3H3.
What are the key properties of (3-ethoxy-1-ethylpyrazol-4-yl)-(4-methylpiperidin-1-yl)methanone?
(3-ethoxy-1-ethylpyrazol-4-yl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 265.36 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-1-ethylpyrazol-4-yl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 16925361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).