(2,5-dimethylpyrazol-3-yl)-[(2R)-2-(2-phenylethyl)pyrrolidin-1-yl]methanone

C18H23N3O — CID 95578829

IUPAC(2,5-dimethylpyrazol-3-yl)-[(2R)-2-(2-phenylethyl)pyrrolidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC[C@H]2CCc2ccccc2)n(C)n1
InChIInChI=1S/C18H23N3O/c1-14-13-17(20(2)19-14)18(22)21-12-6-9-16(21)11-10-15-7-4-3-5-8-15/h3-5,7-8,13,16H,6,9-12H2,1-2H3/t16-/m0/s1
InChIKeyDJLJIANWQCJUAL-INIZCTEOSA-N
MW297.40 g/mol
LogP2.97
Rot. Bonds4

About (2,5-dimethylpyrazol-3-yl)-[(2R)-2-(2-phenylethyl)pyrrolidin-1-yl]methanone

(2,5-dimethylpyrazol-3-yl)-[(2R)-2-(2-phenylethyl)pyrrolidin-1-yl]methanone (PubChem CID 95578829) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is (2,5-dimethylpyrazol-3-yl)-[(2R)-2-(2-phenylethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylpyrazol-3-yl)-[(2R)-2-(2-phenylethyl)pyrrolidin-1-yl]methanone
PubChem CID95578829
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name(2,5-dimethylpyrazol-3-yl)-[(2R)-2-(2-phenylethyl)pyrrolidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC[C@H]2CCc2ccccc2)n(C)n1
InChIInChI=1S/C18H23N3O/c1-14-13-17(20(2)19-14)18(22)21-12-6-9-16(21)11-10-15-7-4-3-5-8-15/h3-5,7-8,13,16H,6,9-12H2,1-2H3/t16-/m0/s1
InChIKeyDJLJIANWQCJUAL-INIZCTEOSA-N
XLogP2.97
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylpyrazol-3-yl)-[(2R)-2-(2-phenylethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2,5-dimethylpyrazol-3-yl)-[(2R)-2-(2-phenylethyl)pyrrolidin-1-yl]methanone (CID 95578829) is (2,5-dimethylpyrazol-3-yl)-[(2R)-2-(2-phenylethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethylpyrazol-3-yl)-[(2R)-2-(2-phenylethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2,5-dimethylpyrazol-3-yl)-[(2R)-2-(2-phenylethyl)pyrrolidin-1-yl]methanone is Cc1cc(C(=O)N2CCC[C@H]2CCc2ccccc2)n(C)n1.
What is the InChIKey of (2,5-dimethylpyrazol-3-yl)-[(2R)-2-(2-phenylethyl)pyrrolidin-1-yl]methanone?
The InChIKey is DJLJIANWQCJUAL-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23N3O/c1-14-13-17(20(2)19-14)18(22)21-12-6-9-16(21)11-10-15-7-4-3-5-8-15/h3-5,7-8,13,16H,6,9-12H2,1-2H3/t16-/m0/s1.
What are the key properties of (2,5-dimethylpyrazol-3-yl)-[(2R)-2-(2-phenylethyl)pyrrolidin-1-yl]methanone?
(2,5-dimethylpyrazol-3-yl)-[(2R)-2-(2-phenylethyl)pyrrolidin-1-yl]methanone has a molecular weight of 297.40 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylpyrazol-3-yl)-[(2R)-2-(2-phenylethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95578829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).