N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide

C17H28ClN5O2 — CID 124854641

IUPACN-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
SMILESCc1nn(CCCNC(=O)C[C@@H]2C(=O)NCCN2C(C)C)c(C)c1Cl
InChIInChI=1S/C17H28ClN5O2/c1-11(2)22-9-7-20-17(25)14(22)10-15(24)19-6-5-8-23-13(4)16(18)12(3)21-23/h11,14H,5-10H2,1-4H3,(H,19,24)(H,20,25)/t14-/m1/s1
InChIKeyXPUWZKZDCMUBQL-CQSZACIVSA-N
MW369.90 g/mol
LogP1.26
Rot. Bonds7

About N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide

N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide (PubChem CID 124854641) has the molecular formula C17H28ClN5O2 and a molecular weight of 369.90 g/mol. Its IUPAC name is N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
PubChem CID124854641
Molecular FormulaC17H28ClN5O2
Molecular Weight369.90 g/mol
Exact Mass369.19
IUPAC NameN-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
SMILESCc1nn(CCCNC(=O)C[C@@H]2C(=O)NCCN2C(C)C)c(C)c1Cl
InChIInChI=1S/C17H28ClN5O2/c1-11(2)22-9-7-20-17(25)14(22)10-15(24)19-6-5-8-23-13(4)16(18)12(3)21-23/h11,14H,5-10H2,1-4H3,(H,19,24)(H,20,25)/t14-/m1/s1
InChIKeyXPUWZKZDCMUBQL-CQSZACIVSA-N
XLogP1.26
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 51.26
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-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide?
The IUPAC name of N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide (CID 124854641) is N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide.
What is the SMILES notation for N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide?
The canonical SMILES for N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide is Cc1nn(CCCNC(=O)C[C@@H]2C(=O)NCCN2C(C)C)c(C)c1Cl.
What is the InChIKey of N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide?
The InChIKey is XPUWZKZDCMUBQL-CQSZACIVSA-N. The full InChI is InChI=1S/C17H28ClN5O2/c1-11(2)22-9-7-20-17(25)14(22)10-15(24)19-6-5-8-23-13(4)16(18)12(3)21-23/h11,14H,5-10H2,1-4H3,(H,19,24)(H,20,25)/t14-/m1/s1.
What are the key properties of N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide?
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide has a molecular weight of 369.90 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide is sourced from PubChem (CID 124854641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).