3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-3-ethoxy-2-hydroxypropyl]benzamide

C17H23N3O3 — CID 125171716

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-3-ethoxy-2-hydroxypropyl]benzamide
SMILESCCOC[C@@H](O)CNC(=O)c1cccc(-c2c(C)n[nH]c2C)c1
InChIInChI=1S/C17H23N3O3/c1-4-23-10-15(21)9-18-17(22)14-7-5-6-13(8-14)16-11(2)19-20-12(16)3/h5-8,15,21H,4,9-10H2,1-3H3,(H,18,22)(H,19,20)/t15-/m0/s1
InChIKeyRXXLLRKBBZCCIX-HNNXBMFYSA-N
MW317.39 g/mol
LogP1.82
Rot. Bonds7

About 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-3-ethoxy-2-hydroxypropyl]benzamide

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-3-ethoxy-2-hydroxypropyl]benzamide (PubChem CID 125171716) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-3-ethoxy-2-hydroxypropyl]benzamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-3-ethoxy-2-hydroxypropyl]benzamide
PubChem CID125171716
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-3-ethoxy-2-hydroxypropyl]benzamide
SMILESCCOC[C@@H](O)CNC(=O)c1cccc(-c2c(C)n[nH]c2C)c1
InChIInChI=1S/C17H23N3O3/c1-4-23-10-15(21)9-18-17(22)14-7-5-6-13(8-14)16-11(2)19-20-12(16)3/h5-8,15,21H,4,9-10H2,1-3H3,(H,18,22)(H,19,20)/t15-/m0/s1
InChIKeyRXXLLRKBBZCCIX-HNNXBMFYSA-N
XLogP1.82
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-3-ethoxy-2-hydroxypropyl]benzamide 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

3-(5-chloro-2-fluorophenyl)-N-[(2R)-3-ethoxy-2-hydroxypropyl]benzamide
CID 126440716
N-(3-ethoxy-2-hydroxypropyl)-3-piperidin-4-ylbenzamide
CID 134231528
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 118765598
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]benzamide
CID 125448562
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-[4-[(1R)-1-hydroxyethyl]phenyl]benzamide
CID 126440416
N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-phenylbenzamide
CID 91773131
N-[(2S)-3-ethoxy-2-hydroxypropyl]-4-pyrazolo[1,5-a]pyridin-3-ylbenzamide
CID 125445269
N-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-pyrazol-1-ylbenzamide
CID 111697672
3-(3,5-dimethyl-1H-pyrazol-4-yl)phenol
CID 164885092
3-(2-ethoxyphenyl)-N-[(2S)-2-hydroxypropyl]benzamide
CID 97108815
3-ethoxy-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide
CID 47932930
N-[(2S)-2,3-dihydroxypropyl]-3-methylbenzamide
CID 40653428

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-3-ethoxy-2-hydroxypropyl]benzamide?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-3-ethoxy-2-hydroxypropyl]benzamide (CID 125171716) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-3-ethoxy-2-hydroxypropyl]benzamide.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-3-ethoxy-2-hydroxypropyl]benzamide?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-3-ethoxy-2-hydroxypropyl]benzamide is CCOC[C@@H](O)CNC(=O)c1cccc(-c2c(C)n[nH]c2C)c1.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-3-ethoxy-2-hydroxypropyl]benzamide?
The InChIKey is RXXLLRKBBZCCIX-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-4-23-10-15(21)9-18-17(22)14-7-5-6-13(8-14)16-11(2)19-20-12(16)3/h5-8,15,21H,4,9-10H2,1-3H3,(H,18,22)(H,19,20)/t15-/m0/s1.
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-3-ethoxy-2-hydroxypropyl]benzamide?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-3-ethoxy-2-hydroxypropyl]benzamide has a molecular weight of 317.39 g/mol, XLogP of 1.82, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-3-ethoxy-2-hydroxypropyl]benzamide is sourced from PubChem (CID 125171716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).