1-(2,5-dimethyl-3-phenylpyrrolidin-1-yl)-2-pyrazol-1-ylethanone

C17H21N3O — CID 71874019

IUPAC1-(2,5-dimethyl-3-phenylpyrrolidin-1-yl)-2-pyrazol-1-ylethanone
SMILESCC1CC(c2ccccc2)C(C)N1C(=O)Cn1cccn1
InChIInChI=1S/C17H21N3O/c1-13-11-16(15-7-4-3-5-8-15)14(2)20(13)17(21)12-19-10-6-9-18-19/h3-10,13-14,16H,11-12H2,1-2H3
InChIKeyIFMJGYSSYPKNGK-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.68
Rot. Bonds3

About 1-(2,5-dimethyl-3-phenylpyrrolidin-1-yl)-2-pyrazol-1-ylethanone

1-(2,5-dimethyl-3-phenylpyrrolidin-1-yl)-2-pyrazol-1-ylethanone (PubChem CID 71874019) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-(2,5-dimethyl-3-phenylpyrrolidin-1-yl)-2-pyrazol-1-ylethanone.

Molecular Properties

Compound Name1-(2,5-dimethyl-3-phenylpyrrolidin-1-yl)-2-pyrazol-1-ylethanone
PubChem CID71874019
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-(2,5-dimethyl-3-phenylpyrrolidin-1-yl)-2-pyrazol-1-ylethanone
SMILESCC1CC(c2ccccc2)C(C)N1C(=O)Cn1cccn1
InChIInChI=1S/C17H21N3O/c1-13-11-16(15-7-4-3-5-8-15)14(2)20(13)17(21)12-19-10-6-9-18-19/h3-10,13-14,16H,11-12H2,1-2H3
InChIKeyIFMJGYSSYPKNGK-UHFFFAOYSA-N
XLogP2.68
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-3-phenylpyrrolidin-1-yl)-2-pyrazol-1-ylethanone?
The IUPAC name of 1-(2,5-dimethyl-3-phenylpyrrolidin-1-yl)-2-pyrazol-1-ylethanone (CID 71874019) is 1-(2,5-dimethyl-3-phenylpyrrolidin-1-yl)-2-pyrazol-1-ylethanone.
What is the SMILES notation for 1-(2,5-dimethyl-3-phenylpyrrolidin-1-yl)-2-pyrazol-1-ylethanone?
The canonical SMILES for 1-(2,5-dimethyl-3-phenylpyrrolidin-1-yl)-2-pyrazol-1-ylethanone is CC1CC(c2ccccc2)C(C)N1C(=O)Cn1cccn1.
What is the InChIKey of 1-(2,5-dimethyl-3-phenylpyrrolidin-1-yl)-2-pyrazol-1-ylethanone?
The InChIKey is IFMJGYSSYPKNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-13-11-16(15-7-4-3-5-8-15)14(2)20(13)17(21)12-19-10-6-9-18-19/h3-10,13-14,16H,11-12H2,1-2H3.
What are the key properties of 1-(2,5-dimethyl-3-phenylpyrrolidin-1-yl)-2-pyrazol-1-ylethanone?
1-(2,5-dimethyl-3-phenylpyrrolidin-1-yl)-2-pyrazol-1-ylethanone has a molecular weight of 283.38 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-3-phenylpyrrolidin-1-yl)-2-pyrazol-1-ylethanone is sourced from PubChem (CID 71874019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).