N-(2-acetamidoethyl)-2-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide

C15H24ClN5O2 — CID 71878563

IUPACN-(2-acetamidoethyl)-2-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
SMILESCC(=O)NCCNC(=O)CN1CCCC1c1c(C)nn(C)c1Cl
InChIInChI=1S/C15H24ClN5O2/c1-10-14(15(16)20(3)19-10)12-5-4-8-21(12)9-13(23)18-7-6-17-11(2)22/h12H,4-9H2,1-3H3,(H,17,22)(H,18,23)
InChIKeyBDUUIXAZEGARIH-UHFFFAOYSA-N
MW341.84 g/mol
LogP0.77
Rot. Bonds6

About N-(2-acetamidoethyl)-2-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide

N-(2-acetamidoethyl)-2-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide (PubChem CID 71878563) has the molecular formula C15H24ClN5O2 and a molecular weight of 341.84 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
PubChem CID71878563
Molecular FormulaC15H24ClN5O2
Molecular Weight341.84 g/mol
Exact Mass341.16
IUPAC NameN-(2-acetamidoethyl)-2-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
SMILESCC(=O)NCCNC(=O)CN1CCCC1c1c(C)nn(C)c1Cl
InChIInChI=1S/C15H24ClN5O2/c1-10-14(15(16)20(3)19-10)12-5-4-8-21(12)9-13(23)18-7-6-17-11(2)22/h12H,4-9H2,1-3H3,(H,17,22)(H,18,23)
InChIKeyBDUUIXAZEGARIH-UHFFFAOYSA-N
XLogP0.77
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 50.77
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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Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(2-acetamidoethyl)-2-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide (CID 71878563) is N-(2-acetamidoethyl)-2-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide is CC(=O)NCCNC(=O)CN1CCCC1c1c(C)nn(C)c1Cl.
What is the InChIKey of N-(2-acetamidoethyl)-2-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide?
The InChIKey is BDUUIXAZEGARIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN5O2/c1-10-14(15(16)20(3)19-10)12-5-4-8-21(12)9-13(23)18-7-6-17-11(2)22/h12H,4-9H2,1-3H3,(H,17,22)(H,18,23).
What are the key properties of N-(2-acetamidoethyl)-2-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide?
N-(2-acetamidoethyl)-2-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide has a molecular weight of 341.84 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-[2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 71878563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).