2-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylamino]-1-pyrrolidin-1-ylethanone

C20H28N4O — CID 86776364

IUPAC2-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylamino]-1-pyrrolidin-1-ylethanone
SMILESCc1ccc(Cn2nc(C)c(CNCC(=O)N3CCCC3)c2C)cc1
InChIInChI=1S/C20H28N4O/c1-15-6-8-18(9-7-15)14-24-17(3)19(16(2)22-24)12-21-13-20(25)23-10-4-5-11-23/h6-9,21H,4-5,10-14H2,1-3H3
InChIKeyYETXOZITPCNWNN-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.57
Rot. Bonds6

About 2-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylamino]-1-pyrrolidin-1-ylethanone

2-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylamino]-1-pyrrolidin-1-ylethanone (PubChem CID 86776364) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylamino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylamino]-1-pyrrolidin-1-ylethanone
PubChem CID86776364
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name2-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylamino]-1-pyrrolidin-1-ylethanone
SMILESCc1ccc(Cn2nc(C)c(CNCC(=O)N3CCCC3)c2C)cc1
InChIInChI=1S/C20H28N4O/c1-15-6-8-18(9-7-15)14-24-17(3)19(16(2)22-24)12-21-13-20(25)23-10-4-5-11-23/h6-9,21H,4-5,10-14H2,1-3H3
InChIKeyYETXOZITPCNWNN-UHFFFAOYSA-N
XLogP2.57
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylamino]-1-pyrrolidin-1-ylethanone with MolForge

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Related Compounds

2-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylamino]-N-propan-2-ylacetamide
CID 86809135
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]acetamide
CID 55739313
2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-ethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111929238
2-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazol-4-yl]methylamino]-1-pyrrolidin-1-ylethanone
CID 56814833
N-[[3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 43647830
3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-piperidin-1-ylpyrazole-4-carboxamide
CID 9271721
N-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 36872418
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-(3-methylbutanoyl)piperazin-1-yl]acetamide
CID 24664290
1-[2-(1-aminoethyl)piperidin-1-yl]-3-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]propan-1-one;hydrochloride
CID 119436856
[(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate
CID 8986662
1-(azepan-1-yl)-3-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]propan-1-one
CID 110910977
2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]-1-pyrrolidin-1-ylethanone
CID 66402660

Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylamino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylamino]-1-pyrrolidin-1-ylethanone (CID 86776364) is 2-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylamino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylamino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylamino]-1-pyrrolidin-1-ylethanone is Cc1ccc(Cn2nc(C)c(CNCC(=O)N3CCCC3)c2C)cc1.
What is the InChIKey of 2-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylamino]-1-pyrrolidin-1-ylethanone?
The InChIKey is YETXOZITPCNWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-15-6-8-18(9-7-15)14-24-17(3)19(16(2)22-24)12-21-13-20(25)23-10-4-5-11-23/h6-9,21H,4-5,10-14H2,1-3H3.
What are the key properties of 2-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylamino]-1-pyrrolidin-1-ylethanone?
2-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylamino]-1-pyrrolidin-1-ylethanone has a molecular weight of 340.47 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylamino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 86776364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).