(2S)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-3-morpholin-4-ylpropanamide

C17H30N4O2 — CID 124843961

IUPAC(2S)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-3-morpholin-4-ylpropanamide
SMILESCCc1c(C)nn(CCNC(=O)[C@@H](C)CN2CCOCC2)c1C
InChIInChI=1S/C17H30N4O2/c1-5-16-14(3)19-21(15(16)4)7-6-18-17(22)13(2)12-20-8-10-23-11-9-20/h13H,5-12H2,1-4H3,(H,18,22)/t13-/m0/s1
InChIKeyFLCIUTBHOPMWJG-ZDUSSCGKSA-N
MW322.45 g/mol
LogP1.15
Rot. Bonds7

About (2S)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-3-morpholin-4-ylpropanamide

(2S)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-3-morpholin-4-ylpropanamide (PubChem CID 124843961) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is (2S)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-3-morpholin-4-ylpropanamide
PubChem CID124843961
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name(2S)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-3-morpholin-4-ylpropanamide
SMILESCCc1c(C)nn(CCNC(=O)[C@@H](C)CN2CCOCC2)c1C
InChIInChI=1S/C17H30N4O2/c1-5-16-14(3)19-21(15(16)4)7-6-18-17(22)13(2)12-20-8-10-23-11-9-20/h13H,5-12H2,1-4H3,(H,18,22)/t13-/m0/s1
InChIKeyFLCIUTBHOPMWJG-ZDUSSCGKSA-N
XLogP1.15
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-3-morpholin-4-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-3-morpholin-4-ylpropanamide?
The IUPAC name of (2S)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-3-morpholin-4-ylpropanamide (CID 124843961) is (2S)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-3-morpholin-4-ylpropanamide.
What is the SMILES notation for (2S)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-3-morpholin-4-ylpropanamide?
The canonical SMILES for (2S)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-3-morpholin-4-ylpropanamide is CCc1c(C)nn(CCNC(=O)[C@@H](C)CN2CCOCC2)c1C.
What is the InChIKey of (2S)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-3-morpholin-4-ylpropanamide?
The InChIKey is FLCIUTBHOPMWJG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-5-16-14(3)19-21(15(16)4)7-6-18-17(22)13(2)12-20-8-10-23-11-9-20/h13H,5-12H2,1-4H3,(H,18,22)/t13-/m0/s1.
What are the key properties of (2S)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-3-morpholin-4-ylpropanamide?
(2S)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-3-morpholin-4-ylpropanamide has a molecular weight of 322.45 g/mol, XLogP of 1.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2-methyl-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 124843961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).