2-[4-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine

C20H22ClN3O — CID 3046956

IUPAC2-[4-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine
SMILESCc1ccc(-n2cc(-c3ccc(Cl)cc3)c(OCCN(C)C)n2)cc1
InChIInChI=1S/C20H22ClN3O/c1-15-4-10-18(11-5-15)24-14-19(16-6-8-17(21)9-7-16)20(22-24)25-13-12-23(2)3/h4-11,14H,12-13H2,1-3H3
InChIKeyRJRQWZSEZYHKFI-UHFFFAOYSA-N
MW355.87 g/mol
LogP4.44
Rot. Bonds6

About 2-[4-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine

2-[4-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine (PubChem CID 3046956) has the molecular formula C20H22ClN3O and a molecular weight of 355.87 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine
PubChem CID3046956
Molecular FormulaC20H22ClN3O
Molecular Weight355.87 g/mol
Exact Mass355.15
IUPAC Name2-[4-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine
SMILESCc1ccc(-n2cc(-c3ccc(Cl)cc3)c(OCCN(C)C)n2)cc1
InChIInChI=1S/C20H22ClN3O/c1-15-4-10-18(11-5-15)24-14-19(16-6-8-17(21)9-7-16)20(22-24)25-13-12-23(2)3/h4-11,14H,12-13H2,1-3H3
InChIKeyRJRQWZSEZYHKFI-UHFFFAOYSA-N
XLogP4.44
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine 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-[1-(4-chlorophenyl)-4-(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylpropan-1-amine
CID 3046986
2-[1,4-bis(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine
CID 3046960
3-[1,4-bis(4-methoxyphenyl)pyrazol-3-yl]oxy-N,N-dimethylpropan-1-amine;hydrochloride
CID 3046975
4-[2-[4-(4-chlorophenyl)-1-phenylpyrazol-3-yl]oxyethyl]morpholine
CID 3047072
[1-(4-chlorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanol
CID 3820549
2-(1,4-diphenylpyrazol-3-yl)oxy-N-methylethanamine
CID 3046994
3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazole
CID 23524520
N,N-dimethyl-2-[4-[5-[4-[1-(4-methylphenyl)triazol-4-yl]phenyl]-1,2-dihydrotriazol-3-yl]phenoxy]ethanamine
CID 163948284
2-[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]acetic acid
CID 20542672
2-[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]acetonitrile
CID 20542746
5-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-4-pyridin-4-ylpyrazol-3-yl]-2,3-dihydroinden-1-one
CID 141326499
1-(4-chlorophenyl)-4-(4-methylphenyl)triazole
CID 134686857

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine?
The IUPAC name of 2-[4-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine (CID 3046956) is 2-[4-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine is Cc1ccc(-n2cc(-c3ccc(Cl)cc3)c(OCCN(C)C)n2)cc1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine?
The InChIKey is RJRQWZSEZYHKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O/c1-15-4-10-18(11-5-15)24-14-19(16-6-8-17(21)9-7-16)20(22-24)25-13-12-23(2)3/h4-11,14H,12-13H2,1-3H3.
What are the key properties of 2-[4-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine?
2-[4-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine has a molecular weight of 355.87 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine is sourced from PubChem (CID 3046956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).