N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-2-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]acetamide

C20H26N4O2 — CID 97274352

IUPACN-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-2-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]acetamide
SMILESCc1cc(C)n(-c2cccc(CN(C)C(=O)CN3C(=O)CC[C@H]3C)c2)n1
InChIInChI=1S/C20H26N4O2/c1-14-10-16(3)24(21-14)18-7-5-6-17(11-18)12-22(4)20(26)13-23-15(2)8-9-19(23)25/h5-7,10-11,15H,8-9,12-13H2,1-4H3/t15-/m1/s1
InChIKeyOTOVPSSHJBBMLX-OAHLLOKOSA-N
MW354.45 g/mol
LogP2.46
Rot. Bonds5

About N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-2-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]acetamide

N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-2-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]acetamide (PubChem CID 97274352) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-2-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-2-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]acetamide
PubChem CID97274352
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-2-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]acetamide
SMILESCc1cc(C)n(-c2cccc(CN(C)C(=O)CN3C(=O)CC[C@H]3C)c2)n1
InChIInChI=1S/C20H26N4O2/c1-14-10-16(3)24(21-14)18-7-5-6-17(11-18)12-22(4)20(26)13-23-15(2)8-9-19(23)25/h5-7,10-11,15H,8-9,12-13H2,1-4H3/t15-/m1/s1
InChIKeyOTOVPSSHJBBMLX-OAHLLOKOSA-N
XLogP2.46
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-2-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]acetamide?
The IUPAC name of N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-2-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]acetamide (CID 97274352) is N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-2-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-2-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-2-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]acetamide is Cc1cc(C)n(-c2cccc(CN(C)C(=O)CN3C(=O)CC[C@H]3C)c2)n1.
What is the InChIKey of N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-2-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]acetamide?
The InChIKey is OTOVPSSHJBBMLX-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-14-10-16(3)24(21-14)18-7-5-6-17(11-18)12-22(4)20(26)13-23-15(2)8-9-19(23)25/h5-7,10-11,15H,8-9,12-13H2,1-4H3/t15-/m1/s1.
What are the key properties of N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-2-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]acetamide?
N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-2-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]acetamide has a molecular weight of 354.45 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-2-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]acetamide is sourced from PubChem (CID 97274352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).