[3-(3-methylpyrazol-1-yl)phenyl]-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone

C20H26N4O — CID 95292652

IUPAC[3-(3-methylpyrazol-1-yl)phenyl]-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
SMILESCc1ccn(-c2cccc(C(=O)N3CCC[C@H]3[C@@H]3CCCN3C)c2)n1
InChIInChI=1S/C20H26N4O/c1-15-10-13-24(21-15)17-7-3-6-16(14-17)20(25)23-12-5-9-19(23)18-8-4-11-22(18)2/h3,6-7,10,13-14,18-19H,4-5,8-9,11-12H2,1-2H3/t18-,19-/m0/s1
InChIKeyVBIQQPBQLSWTNX-OALUTQOASA-N
MW338.46 g/mol
LogP2.88
Rot. Bonds3

About [3-(3-methylpyrazol-1-yl)phenyl]-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone

[3-(3-methylpyrazol-1-yl)phenyl]-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 95292652) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is [3-(3-methylpyrazol-1-yl)phenyl]-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(3-methylpyrazol-1-yl)phenyl]-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
PubChem CID95292652
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name[3-(3-methylpyrazol-1-yl)phenyl]-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
SMILESCc1ccn(-c2cccc(C(=O)N3CCC[C@H]3[C@@H]3CCCN3C)c2)n1
InChIInChI=1S/C20H26N4O/c1-15-10-13-24(21-15)17-7-3-6-16(14-17)20(25)23-12-5-9-19(23)18-8-4-11-22(18)2/h3,6-7,10,13-14,18-19H,4-5,8-9,11-12H2,1-2H3/t18-,19-/m0/s1
InChIKeyVBIQQPBQLSWTNX-OALUTQOASA-N
XLogP2.88
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-(3-methylpyrazol-1-yl)phenyl]-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(3-methylpyrazol-1-yl)phenyl]-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of [3-(3-methylpyrazol-1-yl)phenyl]-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone (CID 95292652) is [3-(3-methylpyrazol-1-yl)phenyl]-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for [3-(3-methylpyrazol-1-yl)phenyl]-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for [3-(3-methylpyrazol-1-yl)phenyl]-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone is Cc1ccn(-c2cccc(C(=O)N3CCC[C@H]3[C@@H]3CCCN3C)c2)n1.
What is the InChIKey of [3-(3-methylpyrazol-1-yl)phenyl]-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The InChIKey is VBIQQPBQLSWTNX-OALUTQOASA-N. The full InChI is InChI=1S/C20H26N4O/c1-15-10-13-24(21-15)17-7-3-6-16(14-17)20(25)23-12-5-9-19(23)18-8-4-11-22(18)2/h3,6-7,10,13-14,18-19H,4-5,8-9,11-12H2,1-2H3/t18-,19-/m0/s1.
What are the key properties of [3-(3-methylpyrazol-1-yl)phenyl]-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
[3-(3-methylpyrazol-1-yl)phenyl]-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 338.46 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methylpyrazol-1-yl)phenyl]-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95292652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).