(1-ethylpyrazol-3-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone

C17H21N3O2 — CID 50747329

IUPAC(1-ethylpyrazol-3-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCCn1ccc(C(=O)N2CCCC2c2ccc(OC)cc2)n1
InChIInChI=1S/C17H21N3O2/c1-3-19-12-10-15(18-19)17(21)20-11-4-5-16(20)13-6-8-14(22-2)9-7-13/h6-10,12,16H,3-5,11H2,1-2H3
InChIKeyZDMWPKUOQFTMBM-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.89
Rot. Bonds4

About (1-ethylpyrazol-3-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone

(1-ethylpyrazol-3-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone (PubChem CID 50747329) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is (1-ethylpyrazol-3-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethylpyrazol-3-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
PubChem CID50747329
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name(1-ethylpyrazol-3-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCCn1ccc(C(=O)N2CCCC2c2ccc(OC)cc2)n1
InChIInChI=1S/C17H21N3O2/c1-3-19-12-10-15(18-19)17(21)20-11-4-5-16(20)13-6-8-14(22-2)9-7-13/h6-10,12,16H,3-5,11H2,1-2H3
InChIKeyZDMWPKUOQFTMBM-UHFFFAOYSA-N
XLogP2.89
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-3-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (1-ethylpyrazol-3-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone (CID 50747329) is (1-ethylpyrazol-3-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-ethylpyrazol-3-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-ethylpyrazol-3-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone is CCn1ccc(C(=O)N2CCCC2c2ccc(OC)cc2)n1.
What is the InChIKey of (1-ethylpyrazol-3-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is ZDMWPKUOQFTMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-3-19-12-10-15(18-19)17(21)20-11-4-5-16(20)13-6-8-14(22-2)9-7-13/h6-10,12,16H,3-5,11H2,1-2H3.
What are the key properties of (1-ethylpyrazol-3-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
(1-ethylpyrazol-3-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 299.37 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-3-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 50747329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).