ethyl 3,4-dihydroxy-4-(4-pyrazol-1-ylphenyl)butanoate

C15H18N2O4 — CID 171898140

IUPACethyl 3,4-dihydroxy-4-(4-pyrazol-1-ylphenyl)butanoate
SMILESCCOC(=O)CC(O)C(O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C15H18N2O4/c1-2-21-14(19)10-13(18)15(20)11-4-6-12(7-5-11)17-9-3-8-16-17/h3-9,13,15,18,20H,2,10H2,1H3
InChIKeyUFUKVCMPLXZXTM-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.22
Rot. Bonds6

About ethyl 3,4-dihydroxy-4-(4-pyrazol-1-ylphenyl)butanoate

ethyl 3,4-dihydroxy-4-(4-pyrazol-1-ylphenyl)butanoate (PubChem CID 171898140) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is ethyl 3,4-dihydroxy-4-(4-pyrazol-1-ylphenyl)butanoate.

Molecular Properties

Compound Nameethyl 3,4-dihydroxy-4-(4-pyrazol-1-ylphenyl)butanoate
PubChem CID171898140
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Nameethyl 3,4-dihydroxy-4-(4-pyrazol-1-ylphenyl)butanoate
SMILESCCOC(=O)CC(O)C(O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C15H18N2O4/c1-2-21-14(19)10-13(18)15(20)11-4-6-12(7-5-11)17-9-3-8-16-17/h3-9,13,15,18,20H,2,10H2,1H3
InChIKeyUFUKVCMPLXZXTM-UHFFFAOYSA-N
XLogP1.22
TPSA84.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 3,4-dihydroxy-4-(4-pyrazol-1-ylphenyl)butanoate 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

methyl 3,4-dihydroxy-4-(4-pyrazol-1-ylphenyl)butanoate
CID 171896348
3-bromo-1-(4-pyrazol-1-ylphenyl)propane-1,2-diol
CID 171860740
ethyl 3,4-dihydroxy-4-(4-hydroxyphenyl)butanoate
CID 171896820
ethyl (3S)-3-amino-3-(3-pyrazol-1-ylphenyl)propanoate
CID 140935403
ethyl 3-amino-3-(3-pyrazol-1-ylphenyl)propanoate
CID 175563002
benzyl N-[2,3-dihydroxy-3-(4-pyrazol-1-ylphenyl)propyl]carbamate
CID 171856680
ethyl 4-(6-amino-3-pyridinyl)-3,4-dihydroxybutanoate
CID 171896832
ethyl 4-[4-(carbamoylamino)phenyl]-3,4-dihydroxybutanoate
CID 171897779
ethyl 3,4-dihydroxy-4-(1-methylpyrazol-4-yl)butanoate
CID 171896783
1-(4-pyrazol-1-ylphenyl)propan-1-amine
CID 103693301
ethyl 4-(6-hydrazinyl-3-pyridinyl)-3,4-dihydroxybutanoate
CID 171897191
ethyl 3,4-dihydroxy-4-quinolin-6-ylbutanoate
CID 171897595

Frequently Asked Questions

What is the IUPAC name of ethyl 3,4-dihydroxy-4-(4-pyrazol-1-ylphenyl)butanoate?
The IUPAC name of ethyl 3,4-dihydroxy-4-(4-pyrazol-1-ylphenyl)butanoate (CID 171898140) is ethyl 3,4-dihydroxy-4-(4-pyrazol-1-ylphenyl)butanoate.
What is the SMILES notation for ethyl 3,4-dihydroxy-4-(4-pyrazol-1-ylphenyl)butanoate?
The canonical SMILES for ethyl 3,4-dihydroxy-4-(4-pyrazol-1-ylphenyl)butanoate is CCOC(=O)CC(O)C(O)c1ccc(-n2cccn2)cc1.
What is the InChIKey of ethyl 3,4-dihydroxy-4-(4-pyrazol-1-ylphenyl)butanoate?
The InChIKey is UFUKVCMPLXZXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-2-21-14(19)10-13(18)15(20)11-4-6-12(7-5-11)17-9-3-8-16-17/h3-9,13,15,18,20H,2,10H2,1H3.
What are the key properties of ethyl 3,4-dihydroxy-4-(4-pyrazol-1-ylphenyl)butanoate?
ethyl 3,4-dihydroxy-4-(4-pyrazol-1-ylphenyl)butanoate has a molecular weight of 290.32 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,4-dihydroxy-4-(4-pyrazol-1-ylphenyl)butanoate is sourced from PubChem (CID 171898140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).