N-(2,5-dimethylpyrazol-3-yl)-2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]acetamide

C16H29N5O2 — CID 124778787

IUPACN-(2,5-dimethylpyrazol-3-yl)-2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]acetamide
SMILESCCOCCN1CCN(CC(=O)Nc2cc(C)nn2C)C[C@H]1C
InChIInChI=1S/C16H29N5O2/c1-5-23-9-8-21-7-6-20(11-14(21)3)12-16(22)17-15-10-13(2)18-19(15)4/h10,14H,5-9,11-12H2,1-4H3,(H,17,22)/t14-/m1/s1
InChIKeyJYNXTBJIRVAFKT-CQSZACIVSA-N
MW323.44 g/mol
LogP0.71
Rot. Bonds7

About N-(2,5-dimethylpyrazol-3-yl)-2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]acetamide

N-(2,5-dimethylpyrazol-3-yl)-2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]acetamide (PubChem CID 124778787) has the molecular formula C16H29N5O2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]acetamide
PubChem CID124778787
Molecular FormulaC16H29N5O2
Molecular Weight323.44 g/mol
Exact Mass323.23
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]acetamide
SMILESCCOCCN1CCN(CC(=O)Nc2cc(C)nn2C)C[C@H]1C
InChIInChI=1S/C16H29N5O2/c1-5-23-9-8-21-7-6-20(11-14(21)3)12-16(22)17-15-10-13(2)18-19(15)4/h10,14H,5-9,11-12H2,1-4H3,(H,17,22)/t14-/m1/s1
InChIKeyJYNXTBJIRVAFKT-CQSZACIVSA-N
XLogP0.71
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]acetamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]acetamide (CID 124778787) is N-(2,5-dimethylpyrazol-3-yl)-2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]acetamide is CCOCCN1CCN(CC(=O)Nc2cc(C)nn2C)C[C@H]1C.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]acetamide?
The InChIKey is JYNXTBJIRVAFKT-CQSZACIVSA-N. The full InChI is InChI=1S/C16H29N5O2/c1-5-23-9-8-21-7-6-20(11-14(21)3)12-16(22)17-15-10-13(2)18-19(15)4/h10,14H,5-9,11-12H2,1-4H3,(H,17,22)/t14-/m1/s1.
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]acetamide?
N-(2,5-dimethylpyrazol-3-yl)-2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]acetamide has a molecular weight of 323.44 g/mol, XLogP of 0.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]acetamide is sourced from PubChem (CID 124778787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).