4-[4-ethyl-3-(4-hydroxyphenyl)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazol-5-yl]phenol

C29H31N3O3 — CID 138740429

IUPAC4-[4-ethyl-3-(4-hydroxyphenyl)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazol-5-yl]phenol
SMILESCCc1c(-c2ccc(O)cc2)nn(-c2ccc(OCCN3CCCC3)cc2)c1-c1ccc(O)cc1
InChIInChI=1S/C29H31N3O3/c1-2-27-28(21-5-11-24(33)12-6-21)30-32(29(27)22-7-13-25(34)14-8-22)23-9-15-26(16-10-23)35-20-19-31-17-3-4-18-31/h5-16,33-34H,2-4,17-20H2,1H3
InChIKeyWGBUSETVLJMIMR-UHFFFAOYSA-N
MW469.59 g/mol
LogP5.65
Rot. Bonds8

About 4-[4-ethyl-3-(4-hydroxyphenyl)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazol-5-yl]phenol

4-[4-ethyl-3-(4-hydroxyphenyl)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazol-5-yl]phenol (PubChem CID 138740429) has the molecular formula C29H31N3O3 and a molecular weight of 469.59 g/mol. Its IUPAC name is 4-[4-ethyl-3-(4-hydroxyphenyl)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazol-5-yl]phenol.

Molecular Properties

Compound Name4-[4-ethyl-3-(4-hydroxyphenyl)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazol-5-yl]phenol
PubChem CID138740429
Molecular FormulaC29H31N3O3
Molecular Weight469.59 g/mol
Exact Mass469.24
IUPAC Name4-[4-ethyl-3-(4-hydroxyphenyl)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazol-5-yl]phenol
SMILESCCc1c(-c2ccc(O)cc2)nn(-c2ccc(OCCN3CCCC3)cc2)c1-c1ccc(O)cc1
InChIInChI=1S/C29H31N3O3/c1-2-27-28(21-5-11-24(33)12-6-21)30-32(29(27)22-7-13-25(34)14-8-22)23-9-15-26(16-10-23)35-20-19-31-17-3-4-18-31/h5-16,33-34H,2-4,17-20H2,1H3
InChIKeyWGBUSETVLJMIMR-UHFFFAOYSA-N
XLogP5.65
TPSA70.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.59
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[4-ethyl-3-(4-hydroxyphenyl)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazol-5-yl]phenol 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

1-[2-[4-[4-ethyl-1,3-bis(4-hydroxyphenyl)pyrazol-5-yl]phenoxy]ethyl]pyrrolidin-2-one
CID 135515228
4-[1-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-5-yl]phenol
CID 138740459
4-[4-methyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-pyrazol-5-yl]phenol
CID 175208942
3-[1-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-5-yl]phenol
CID 138740945
4-ethyl-3,5-bis(4-methoxyphenyl)-1-phenylpyrazole
CID 19586817
(4-hydroxyphenyl)-[4-methyl-3-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-1-yl]methanone
CID 175108845
1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine
CID 803619
1-[2-(4-ethylphenoxy)ethyl]piperidine
CID 867198
4-[4-ethyl-3-(4-hydroxyphenyl)-1-pyridin-2-ylpyrazol-5-yl]phenol
CID 135693427
4-[3-[4-(2-piperidin-1-ylethoxy)phenyl]-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenol
CID 135547714
4-[3-(4-hydroxyphenyl)-1-phenyl-4-propylpyrazol-5-yl]phenol
CID 135494350
4-[1-methyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]sulfanylpyrrolo[3,2-b]quinoxalin-2-yl]phenol
CID 177442375

Frequently Asked Questions

What is the IUPAC name of 4-[4-ethyl-3-(4-hydroxyphenyl)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazol-5-yl]phenol?
The IUPAC name of 4-[4-ethyl-3-(4-hydroxyphenyl)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazol-5-yl]phenol (CID 138740429) is 4-[4-ethyl-3-(4-hydroxyphenyl)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazol-5-yl]phenol.
What is the SMILES notation for 4-[4-ethyl-3-(4-hydroxyphenyl)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazol-5-yl]phenol?
The canonical SMILES for 4-[4-ethyl-3-(4-hydroxyphenyl)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazol-5-yl]phenol is CCc1c(-c2ccc(O)cc2)nn(-c2ccc(OCCN3CCCC3)cc2)c1-c1ccc(O)cc1.
What is the InChIKey of 4-[4-ethyl-3-(4-hydroxyphenyl)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazol-5-yl]phenol?
The InChIKey is WGBUSETVLJMIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O3/c1-2-27-28(21-5-11-24(33)12-6-21)30-32(29(27)22-7-13-25(34)14-8-22)23-9-15-26(16-10-23)35-20-19-31-17-3-4-18-31/h5-16,33-34H,2-4,17-20H2,1H3.
What are the key properties of 4-[4-ethyl-3-(4-hydroxyphenyl)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazol-5-yl]phenol?
4-[4-ethyl-3-(4-hydroxyphenyl)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazol-5-yl]phenol has a molecular weight of 469.59 g/mol, XLogP of 5.65, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-ethyl-3-(4-hydroxyphenyl)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazol-5-yl]phenol is sourced from PubChem (CID 138740429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).