(2S)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-ethoxypropanamide

C13H23N3O2 — CID 126440083

IUPAC(2S)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-ethoxypropanamide
SMILESCCO[C@@H](C)C(=O)NCc1cc(C(C)(C)C)n[nH]1
InChIInChI=1S/C13H23N3O2/c1-6-18-9(2)12(17)14-8-10-7-11(16-15-10)13(3,4)5/h7,9H,6,8H2,1-5H3,(H,14,17)(H,15,16)/t9-/m0/s1
InChIKeyARLFISBFDGIRKL-VIFPVBQESA-N
MW253.35 g/mol
LogP1.75
Rot. Bonds5

About (2S)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-ethoxypropanamide

(2S)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-ethoxypropanamide (PubChem CID 126440083) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is (2S)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-ethoxypropanamide.

Molecular Properties

Compound Name(2S)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-ethoxypropanamide
PubChem CID126440083
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name(2S)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-ethoxypropanamide
SMILESCCO[C@@H](C)C(=O)NCc1cc(C(C)(C)C)n[nH]1
InChIInChI=1S/C13H23N3O2/c1-6-18-9(2)12(17)14-8-10-7-11(16-15-10)13(3,4)5/h7,9H,6,8H2,1-5H3,(H,14,17)(H,15,16)/t9-/m0/s1
InChIKeyARLFISBFDGIRKL-VIFPVBQESA-N
XLogP1.75
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-ethoxypropanamide with MolForge

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

Launch Full Analysis

Related Compounds

(2R)-2,4-dihydroxy-3,3-dimethyl-N-[(3-pentyl-1H-pyrazol-5-yl)methyl]butanamide
CID 164617798
({4-[(5-tert-butyl-1H-pyrazol-3-yl)methyl]morpholin-2-yl}methyl)amine
CID 56721872
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
CID 118784124
2-(2-methoxyethoxy)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
CID 167888638
3-{1-[(5-isopropyl-1H-pyrazol-3-yl)methyl]-4-piperidinyl}-N-(2-methoxyethyl)propanamide
CID 42289086
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(methoxyacetyl)-N-methylpiperidine-3-carboxamide
CID 50968952
N-[(3-ethyl-1H-pyrazol-5-yl)methyl]-3-propan-2-yloxypropanamide
CID 56788503
N-Methyl-N-[(5-propyl-1H-pyrazol-3-YL)methyl]morpholine-2-carboxamide
CID 56875288
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]tetrahydro-2H-pyran-2-carboxamide
CID 118782143
tert-butyl (3-tert-butyl-1H-pyrazol-5-yl)methylcarbamate
CID 59637312
(2R,6S)-N-cyclopropyl-6-(methoxymethyl)-N-[(1R)-1-[5-[3-(methylamino)propyl]-1H-pyrazol-3-yl]ethyl]morpholine-2-carboxamide
CID 90065190
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]acetamide
CID 123922362

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-ethoxypropanamide?
The IUPAC name of (2S)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-ethoxypropanamide (CID 126440083) is (2S)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-ethoxypropanamide.
What is the SMILES notation for (2S)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-ethoxypropanamide?
The canonical SMILES for (2S)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-ethoxypropanamide is CCO[C@@H](C)C(=O)NCc1cc(C(C)(C)C)n[nH]1.
What is the InChIKey of (2S)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-ethoxypropanamide?
The InChIKey is ARLFISBFDGIRKL-VIFPVBQESA-N. The full InChI is InChI=1S/C13H23N3O2/c1-6-18-9(2)12(17)14-8-10-7-11(16-15-10)13(3,4)5/h7,9H,6,8H2,1-5H3,(H,14,17)(H,15,16)/t9-/m0/s1.
What are the key properties of (2S)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-ethoxypropanamide?
(2S)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-ethoxypropanamide has a molecular weight of 253.35 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-ethoxypropanamide is sourced from PubChem (CID 126440083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).