(3-amino-3-phenylpyrrolidin-1-yl)-[5-methyl-1-(2-methylphenyl)pyrazol-3-yl]methanone

C22H24N4O — CID 166362262

IUPAC(3-amino-3-phenylpyrrolidin-1-yl)-[5-methyl-1-(2-methylphenyl)pyrazol-3-yl]methanone
SMILESCc1ccccc1-n1nc(C(=O)N2CCC(N)(c3ccccc3)C2)cc1C
InChIInChI=1S/C22H24N4O/c1-16-8-6-7-11-20(16)26-17(2)14-19(24-26)21(27)25-13-12-22(23,15-25)18-9-4-3-5-10-18/h3-11,14H,12-13,15,23H2,1-2H3
InChIKeyVBUUSJXGBXKOHH-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.19
Rot. Bonds3

About (3-amino-3-phenylpyrrolidin-1-yl)-[5-methyl-1-(2-methylphenyl)pyrazol-3-yl]methanone

(3-amino-3-phenylpyrrolidin-1-yl)-[5-methyl-1-(2-methylphenyl)pyrazol-3-yl]methanone (PubChem CID 166362262) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is (3-amino-3-phenylpyrrolidin-1-yl)-[5-methyl-1-(2-methylphenyl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Name(3-amino-3-phenylpyrrolidin-1-yl)-[5-methyl-1-(2-methylphenyl)pyrazol-3-yl]methanone
PubChem CID166362262
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name(3-amino-3-phenylpyrrolidin-1-yl)-[5-methyl-1-(2-methylphenyl)pyrazol-3-yl]methanone
SMILESCc1ccccc1-n1nc(C(=O)N2CCC(N)(c3ccccc3)C2)cc1C
InChIInChI=1S/C22H24N4O/c1-16-8-6-7-11-20(16)26-17(2)14-19(24-26)21(27)25-13-12-22(23,15-25)18-9-4-3-5-10-18/h3-11,14H,12-13,15,23H2,1-2H3
InChIKeyVBUUSJXGBXKOHH-UHFFFAOYSA-N
XLogP3.19
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-amino-3-phenylpyrrolidin-1-yl)-[5-methyl-1-(2-methylphenyl)pyrazol-3-yl]methanone?
The IUPAC name of (3-amino-3-phenylpyrrolidin-1-yl)-[5-methyl-1-(2-methylphenyl)pyrazol-3-yl]methanone (CID 166362262) is (3-amino-3-phenylpyrrolidin-1-yl)-[5-methyl-1-(2-methylphenyl)pyrazol-3-yl]methanone.
What is the SMILES notation for (3-amino-3-phenylpyrrolidin-1-yl)-[5-methyl-1-(2-methylphenyl)pyrazol-3-yl]methanone?
The canonical SMILES for (3-amino-3-phenylpyrrolidin-1-yl)-[5-methyl-1-(2-methylphenyl)pyrazol-3-yl]methanone is Cc1ccccc1-n1nc(C(=O)N2CCC(N)(c3ccccc3)C2)cc1C.
What is the InChIKey of (3-amino-3-phenylpyrrolidin-1-yl)-[5-methyl-1-(2-methylphenyl)pyrazol-3-yl]methanone?
The InChIKey is VBUUSJXGBXKOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-16-8-6-7-11-20(16)26-17(2)14-19(24-26)21(27)25-13-12-22(23,15-25)18-9-4-3-5-10-18/h3-11,14H,12-13,15,23H2,1-2H3.
What are the key properties of (3-amino-3-phenylpyrrolidin-1-yl)-[5-methyl-1-(2-methylphenyl)pyrazol-3-yl]methanone?
(3-amino-3-phenylpyrrolidin-1-yl)-[5-methyl-1-(2-methylphenyl)pyrazol-3-yl]methanone has a molecular weight of 360.46 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-3-phenylpyrrolidin-1-yl)-[5-methyl-1-(2-methylphenyl)pyrazol-3-yl]methanone is sourced from PubChem (CID 166362262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).