2-(3,5-dimethylpyrazol-1-yl)-N-[[1-(2-phenylethyl)pyrrolidin-2-yl]methyl]acetamide

C20H28N4O — CID 155950546

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-[[1-(2-phenylethyl)pyrrolidin-2-yl]methyl]acetamide
SMILESCc1cc(C)n(CC(=O)NCC2CCCN2CCc2ccccc2)n1
InChIInChI=1S/C20H28N4O/c1-16-13-17(2)24(22-16)15-20(25)21-14-19-9-6-11-23(19)12-10-18-7-4-3-5-8-18/h3-5,7-8,13,19H,6,9-12,14-15H2,1-2H3,(H,21,25)
InChIKeyCQKGRHXJEVJXKK-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.32
Rot. Bonds7

About 2-(3,5-dimethylpyrazol-1-yl)-N-[[1-(2-phenylethyl)pyrrolidin-2-yl]methyl]acetamide

2-(3,5-dimethylpyrazol-1-yl)-N-[[1-(2-phenylethyl)pyrrolidin-2-yl]methyl]acetamide (PubChem CID 155950546) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-[[1-(2-phenylethyl)pyrrolidin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-[[1-(2-phenylethyl)pyrrolidin-2-yl]methyl]acetamide
PubChem CID155950546
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-[[1-(2-phenylethyl)pyrrolidin-2-yl]methyl]acetamide
SMILESCc1cc(C)n(CC(=O)NCC2CCCN2CCc2ccccc2)n1
InChIInChI=1S/C20H28N4O/c1-16-13-17(2)24(22-16)15-20(25)21-14-19-9-6-11-23(19)12-10-18-7-4-3-5-8-18/h3-5,7-8,13,19H,6,9-12,14-15H2,1-2H3,(H,21,25)
InChIKeyCQKGRHXJEVJXKK-UHFFFAOYSA-N
XLogP2.32
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]acetamide
CID 51595414
4-phenyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]butanamide
CID 11385742
N-(cyclopropylmethyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 55028096
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide
CID 51073042
5-methyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124873073
1-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-3,5-dimethylpyrazole
CID 141327365
(2S)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide
CID 124956948
(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-1-(2-phenylethyl)piperazine-2-carboxamide
CID 124956947
1-[1-(2-phenylethyl)pyrrolidin-2-yl]propan-2-one
CID 79546481
2-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]acetamide
CID 95220651
N-(2-acetamidoethyl)-2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]acetamide
CID 95349254
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-phenylpropanamide
CID 35761342

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[[1-(2-phenylethyl)pyrrolidin-2-yl]methyl]acetamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[[1-(2-phenylethyl)pyrrolidin-2-yl]methyl]acetamide (CID 155950546) is 2-(3,5-dimethylpyrazol-1-yl)-N-[[1-(2-phenylethyl)pyrrolidin-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-[[1-(2-phenylethyl)pyrrolidin-2-yl]methyl]acetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-[[1-(2-phenylethyl)pyrrolidin-2-yl]methyl]acetamide is Cc1cc(C)n(CC(=O)NCC2CCCN2CCc2ccccc2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-[[1-(2-phenylethyl)pyrrolidin-2-yl]methyl]acetamide?
The InChIKey is CQKGRHXJEVJXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-16-13-17(2)24(22-16)15-20(25)21-14-19-9-6-11-23(19)12-10-18-7-4-3-5-8-18/h3-5,7-8,13,19H,6,9-12,14-15H2,1-2H3,(H,21,25).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-[[1-(2-phenylethyl)pyrrolidin-2-yl]methyl]acetamide?
2-(3,5-dimethylpyrazol-1-yl)-N-[[1-(2-phenylethyl)pyrrolidin-2-yl]methyl]acetamide has a molecular weight of 340.47 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-[[1-(2-phenylethyl)pyrrolidin-2-yl]methyl]acetamide is sourced from PubChem (CID 155950546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).