3-[(4-chlorophenyl)methoxy]-2-(3-morpholin-4-ylprop-1-ynyl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol

C24H21ClF3N3O3 — CID 171779155

IUPAC3-[(4-chlorophenyl)methoxy]-2-(3-morpholin-4-ylprop-1-ynyl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
SMILESOc1c(-c2cc(C(F)(F)F)[nH]n2)ccc(OCc2ccc(Cl)cc2)c1C#CCN1CCOCC1
InChIInChI=1S/C24H21ClF3N3O3/c25-17-5-3-16(4-6-17)15-34-21-8-7-18(20-14-22(30-29-20)24(26,27)28)23(32)19(21)2-1-9-31-10-12-33-13-11-31/h3-8,14,32H,9-13,15H2,(H,29,30)
InChIKeyMOVDLQAAKWZNBP-UHFFFAOYSA-N
MW491.90 g/mol
LogP4.72
Rot. Bonds5

About 3-[(4-chlorophenyl)methoxy]-2-(3-morpholin-4-ylprop-1-ynyl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol

3-[(4-chlorophenyl)methoxy]-2-(3-morpholin-4-ylprop-1-ynyl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol (PubChem CID 171779155) has the molecular formula C24H21ClF3N3O3 and a molecular weight of 491.90 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methoxy]-2-(3-morpholin-4-ylprop-1-ynyl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methoxy]-2-(3-morpholin-4-ylprop-1-ynyl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
PubChem CID171779155
Molecular FormulaC24H21ClF3N3O3
Molecular Weight491.90 g/mol
Exact Mass491.12
IUPAC Name3-[(4-chlorophenyl)methoxy]-2-(3-morpholin-4-ylprop-1-ynyl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
SMILESOc1c(-c2cc(C(F)(F)F)[nH]n2)ccc(OCc2ccc(Cl)cc2)c1C#CCN1CCOCC1
InChIInChI=1S/C24H21ClF3N3O3/c25-17-5-3-16(4-6-17)15-34-21-8-7-18(20-14-22(30-29-20)24(26,27)28)23(32)19(21)2-1-9-31-10-12-33-13-11-31/h3-8,14,32H,9-13,15H2,(H,29,30)
InChIKeyMOVDLQAAKWZNBP-UHFFFAOYSA-N
XLogP4.72
TPSA70.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.90
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-[(4-chlorophenyl)methoxy]-2-(3-morpholin-4-ylprop-1-ynyl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-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

2-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-5-methoxyphenol
CID 3812863
1-(2-(4-(4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl)-3-hydroxyphenoxy)ethyl)piperidine-4-carboxamide
CID 135652656
Sdccgsbi-0089429.P001
CID 1325142
5-[(2-chlorobenzyl)oxy]-2-[4-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
CID 1939738
3-[(4-chlorophenyl)methoxy]-2-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
CID 171779147
3-[(4-chlorophenyl)methoxy]-2-(4-hydroxybut-1-ynyl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
CID 171779148
3-[(4-chlorophenyl)methoxy]-2-(3-pyrrolidin-1-ylprop-1-ynyl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
CID 171779149
3-[(4-chlorophenyl)methoxy]-2-[5-(4-methylpiperazin-1-yl)pent-1-ynyl]-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
CID 171779150
3-[(4-chlorophenyl)methoxy]-2-(5-piperidin-1-ylpent-1-ynyl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
CID 171779153
1-[3-[6-[(4-chlorophenyl)methoxy]-2-hydroxy-3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]prop-2-ynyl]piperidin-4-ol
CID 171779157
3-[(4-Chlorophenyl)methoxy]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(3-morpholin-4-ylprop-1-ynyl)phenol
CID 171779159
3-[(4-chlorophenyl)methoxy]-2-(3-piperidin-1-ylprop-1-ynyl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
CID 171779160

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methoxy]-2-(3-morpholin-4-ylprop-1-ynyl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?
The IUPAC name of 3-[(4-chlorophenyl)methoxy]-2-(3-morpholin-4-ylprop-1-ynyl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol (CID 171779155) is 3-[(4-chlorophenyl)methoxy]-2-(3-morpholin-4-ylprop-1-ynyl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol.
What is the SMILES notation for 3-[(4-chlorophenyl)methoxy]-2-(3-morpholin-4-ylprop-1-ynyl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?
The canonical SMILES for 3-[(4-chlorophenyl)methoxy]-2-(3-morpholin-4-ylprop-1-ynyl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol is Oc1c(-c2cc(C(F)(F)F)[nH]n2)ccc(OCc2ccc(Cl)cc2)c1C#CCN1CCOCC1.
What is the InChIKey of 3-[(4-chlorophenyl)methoxy]-2-(3-morpholin-4-ylprop-1-ynyl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?
The InChIKey is MOVDLQAAKWZNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClF3N3O3/c25-17-5-3-16(4-6-17)15-34-21-8-7-18(20-14-22(30-29-20)24(26,27)28)23(32)19(21)2-1-9-31-10-12-33-13-11-31/h3-8,14,32H,9-13,15H2,(H,29,30).
What are the key properties of 3-[(4-chlorophenyl)methoxy]-2-(3-morpholin-4-ylprop-1-ynyl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol?
3-[(4-chlorophenyl)methoxy]-2-(3-morpholin-4-ylprop-1-ynyl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol has a molecular weight of 491.90 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methoxy]-2-(3-morpholin-4-ylprop-1-ynyl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol is sourced from PubChem (CID 171779155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).