(5-ethoxy-1-phenylpyrazol-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone

C18H23N3O2 — CID 95756843

IUPAC(5-ethoxy-1-phenylpyrazol-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone
SMILESCCOc1cc(C(=O)N2CCCC[C@H]2C)nn1-c1ccccc1
InChIInChI=1S/C18H23N3O2/c1-3-23-17-13-16(18(22)20-12-8-7-9-14(20)2)19-21(17)15-10-5-4-6-11-15/h4-6,10-11,13-14H,3,7-9,12H2,1-2H3/t14-/m1/s1
InChIKeyOOJMVAKUPHVTHA-CQSZACIVSA-N
MW313.40 g/mol
LogP3.29
Rot. Bonds4

About (5-ethoxy-1-phenylpyrazol-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone

(5-ethoxy-1-phenylpyrazol-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone (PubChem CID 95756843) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is (5-ethoxy-1-phenylpyrazol-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-ethoxy-1-phenylpyrazol-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone
PubChem CID95756843
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name(5-ethoxy-1-phenylpyrazol-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone
SMILESCCOc1cc(C(=O)N2CCCC[C@H]2C)nn1-c1ccccc1
InChIInChI=1S/C18H23N3O2/c1-3-23-17-13-16(18(22)20-12-8-7-9-14(20)2)19-21(17)15-10-5-4-6-11-15/h4-6,10-11,13-14H,3,7-9,12H2,1-2H3/t14-/m1/s1
InChIKeyOOJMVAKUPHVTHA-CQSZACIVSA-N
XLogP3.29
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-ethoxy-1-phenylpyrazol-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone?
The IUPAC name of (5-ethoxy-1-phenylpyrazol-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone (CID 95756843) is (5-ethoxy-1-phenylpyrazol-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone.
What is the SMILES notation for (5-ethoxy-1-phenylpyrazol-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone?
The canonical SMILES for (5-ethoxy-1-phenylpyrazol-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone is CCOc1cc(C(=O)N2CCCC[C@H]2C)nn1-c1ccccc1.
What is the InChIKey of (5-ethoxy-1-phenylpyrazol-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone?
The InChIKey is OOJMVAKUPHVTHA-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-3-23-17-13-16(18(22)20-12-8-7-9-14(20)2)19-21(17)15-10-5-4-6-11-15/h4-6,10-11,13-14H,3,7-9,12H2,1-2H3/t14-/m1/s1.
What are the key properties of (5-ethoxy-1-phenylpyrazol-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone?
(5-ethoxy-1-phenylpyrazol-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone has a molecular weight of 313.40 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethoxy-1-phenylpyrazol-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 95756843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).