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

C16H27N5O2 — CID 95349254

IUPACN-(2-acetamidoethyl)-2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]acetamide
SMILESCC(=O)NCCNC(=O)CN1CCC[C@@H]1Cn1nc(C)cc1C
InChIInChI=1S/C16H27N5O2/c1-12-9-13(2)21(19-12)10-15-5-4-8-20(15)11-16(23)18-7-6-17-14(3)22/h9,15H,4-8,10-11H2,1-3H3,(H,17,22)(H,18,23)/t15-/m1/s1
InChIKeyUDTNPPAKJLWTIG-OAHLLOKOSA-N
MW321.43 g/mol
LogP0.22
Rot. Bonds7

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

N-(2-acetamidoethyl)-2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]acetamide (PubChem CID 95349254) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]acetamide
PubChem CID95349254
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC NameN-(2-acetamidoethyl)-2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]acetamide
SMILESCC(=O)NCCNC(=O)CN1CCC[C@@H]1Cn1nc(C)cc1C
InChIInChI=1S/C16H27N5O2/c1-12-9-13(2)21(19-12)10-15-5-4-8-20(15)11-16(23)18-7-6-17-14(3)22/h9,15H,4-8,10-11H2,1-3H3,(H,17,22)(H,18,23)/t15-/m1/s1
InChIKeyUDTNPPAKJLWTIG-OAHLLOKOSA-N
XLogP0.22
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-pyridin-3-ylacetamide
CID 95609750
N-(2-acetamidoethyl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 95978835
3,5-dimethyl-1-[[(2R)-1-propylpyrrolidin-2-yl]methyl]pyrazole
CID 95341471
1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-methylpropan-2-ol
CID 56780852
2-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-1-ethylpiperidin-2-yl]methyl]acetamide
CID 51595414
3,5-dimethyl-1-[[(2S)-1-prop-2-enylpyrrolidin-2-yl]methyl]pyrazole
CID 95341473
N-(2-acetamidoethyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 55076268
N-[(1S)-1-cyclopentyl-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 95605944
1-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3,5-dimethylpyrazole
CID 56780552
1-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3,5-dimethylpyrazole
CID 95609700
1-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]cyclohexan-1-ol
CID 56780851
2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-methylpyrazine
CID 95609740

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(2-acetamidoethyl)-2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]acetamide (CID 95349254) is N-(2-acetamidoethyl)-2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]acetamide is CC(=O)NCCNC(=O)CN1CCC[C@@H]1Cn1nc(C)cc1C.
What is the InChIKey of N-(2-acetamidoethyl)-2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]acetamide?
The InChIKey is UDTNPPAKJLWTIG-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-12-9-13(2)21(19-12)10-15-5-4-8-20(15)11-16(23)18-7-6-17-14(3)22/h9,15H,4-8,10-11H2,1-3H3,(H,17,22)(H,18,23)/t15-/m1/s1.
What are the key properties of N-(2-acetamidoethyl)-2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]acetamide?
N-(2-acetamidoethyl)-2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]acetamide has a molecular weight of 321.43 g/mol, XLogP of 0.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 95349254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).