5-[1-[3-(2-methylphenoxy)propanoyl]piperidin-2-yl]-1H-pyrazole-4-carboxylic acid

C19H23N3O4 — CID 154782740

IUPAC5-[1-[3-(2-methylphenoxy)propanoyl]piperidin-2-yl]-1H-pyrazole-4-carboxylic acid
SMILESCc1ccccc1OCCC(=O)N1CCCCC1c1[nH]ncc1C(=O)O
InChIInChI=1S/C19H23N3O4/c1-13-6-2-3-8-16(13)26-11-9-17(23)22-10-5-4-7-15(22)18-14(19(24)25)12-20-21-18/h2-3,6,8,12,15H,4-5,7,9-11H2,1H3,(H,20,21)(H,24,25)
InChIKeyCZZJNAUAAGLPKV-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.94
Rot. Bonds6

About 5-[1-[3-(2-methylphenoxy)propanoyl]piperidin-2-yl]-1H-pyrazole-4-carboxylic acid

5-[1-[3-(2-methylphenoxy)propanoyl]piperidin-2-yl]-1H-pyrazole-4-carboxylic acid (PubChem CID 154782740) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 5-[1-[3-(2-methylphenoxy)propanoyl]piperidin-2-yl]-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[1-[3-(2-methylphenoxy)propanoyl]piperidin-2-yl]-1H-pyrazole-4-carboxylic acid
PubChem CID154782740
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name5-[1-[3-(2-methylphenoxy)propanoyl]piperidin-2-yl]-1H-pyrazole-4-carboxylic acid
SMILESCc1ccccc1OCCC(=O)N1CCCCC1c1[nH]ncc1C(=O)O
InChIInChI=1S/C19H23N3O4/c1-13-6-2-3-8-16(13)26-11-9-17(23)22-10-5-4-7-15(22)18-14(19(24)25)12-20-21-18/h2-3,6,8,12,15H,4-5,7,9-11H2,1H3,(H,20,21)(H,24,25)
InChIKeyCZZJNAUAAGLPKV-UHFFFAOYSA-N
XLogP2.94
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[1-[3-(2-methylphenoxy)propanoyl]piperidin-2-yl]-1H-pyrazole-4-carboxylic acid 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)-1-[3-(2-methylphenoxy)propanoyl]piperidine-2-carboxylic acid
CID 79035276
1-[3-(4-amino-1H-pyrazol-5-yl)pyrrolidin-1-yl]-3-(2-methylphenoxy)propan-1-one
CID 154783622
3-(4-fluorophenyl)-1-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 125022280
3-(2-fluorophenyl)-1-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 124950069
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-(2-methylphenoxy)propan-1-one
CID 79028625
3-(2-chlorophenoxy)-1-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one
CID 129492126
3-(2-methylphenoxy)-1-[(2S)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)pyrrolidin-1-yl]propan-1-one
CID 92624942
3-(benzotriazol-1-yl)-1-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 124994474
2-ethoxy-1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 73439591
1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 110096331
[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 124961992
1-[2-[(dimethylamino)methyl]piperidin-1-yl]-4-(2-methylphenoxy)butan-1-one
CID 60592852

Frequently Asked Questions

What is the IUPAC name of 5-[1-[3-(2-methylphenoxy)propanoyl]piperidin-2-yl]-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-[1-[3-(2-methylphenoxy)propanoyl]piperidin-2-yl]-1H-pyrazole-4-carboxylic acid (CID 154782740) is 5-[1-[3-(2-methylphenoxy)propanoyl]piperidin-2-yl]-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[1-[3-(2-methylphenoxy)propanoyl]piperidin-2-yl]-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-[1-[3-(2-methylphenoxy)propanoyl]piperidin-2-yl]-1H-pyrazole-4-carboxylic acid is Cc1ccccc1OCCC(=O)N1CCCCC1c1[nH]ncc1C(=O)O.
What is the InChIKey of 5-[1-[3-(2-methylphenoxy)propanoyl]piperidin-2-yl]-1H-pyrazole-4-carboxylic acid?
The InChIKey is CZZJNAUAAGLPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-13-6-2-3-8-16(13)26-11-9-17(23)22-10-5-4-7-15(22)18-14(19(24)25)12-20-21-18/h2-3,6,8,12,15H,4-5,7,9-11H2,1H3,(H,20,21)(H,24,25).
What are the key properties of 5-[1-[3-(2-methylphenoxy)propanoyl]piperidin-2-yl]-1H-pyrazole-4-carboxylic acid?
5-[1-[3-(2-methylphenoxy)propanoyl]piperidin-2-yl]-1H-pyrazole-4-carboxylic acid has a molecular weight of 357.41 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[3-(2-methylphenoxy)propanoyl]piperidin-2-yl]-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 154782740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).