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

C21H25N3O — CID 3046960

IUPAC2-[1,4-bis(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine
SMILESCc1ccc(-c2cn(-c3ccc(C)cc3)nc2OCCN(C)C)cc1
InChIInChI=1S/C21H25N3O/c1-16-5-9-18(10-6-16)20-15-24(19-11-7-17(2)8-12-19)22-21(20)25-14-13-23(3)4/h5-12,15H,13-14H2,1-4H3
InChIKeyMOODKFJAGOJIKD-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.10
Rot. Bonds6

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

2-[1,4-bis(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine (PubChem CID 3046960) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-[1,4-bis(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[1,4-bis(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine
PubChem CID3046960
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name2-[1,4-bis(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine
SMILESCc1ccc(-c2cn(-c3ccc(C)cc3)nc2OCCN(C)C)cc1
InChIInChI=1S/C21H25N3O/c1-16-5-9-18(10-6-16)20-15-24(19-11-7-17(2)8-12-19)22-21(20)25-14-13-23(3)4/h5-12,15H,13-14H2,1-4H3
InChIKeyMOODKFJAGOJIKD-UHFFFAOYSA-N
XLogP4.10
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine
CID 3046956
3-[1-(4-chlorophenyl)-4-(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylpropan-1-amine
CID 3046986
3-[1,4-bis(4-methoxyphenyl)pyrazol-3-yl]oxy-N,N-dimethylpropan-1-amine;hydrochloride
CID 3046975
2-(1,4-diphenylpyrazol-3-yl)oxy-N-methylethanamine
CID 3046994
N,N-dimethyl-2-[4-[5-[4-[1-(4-methylphenyl)triazol-4-yl]phenyl]-1,2-dihydrotriazol-3-yl]phenoxy]ethanamine
CID 163948284
5-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-4-pyridin-4-ylpyrazol-3-yl]-2,3-dihydroinden-1-one
CID 141326499
1-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methylpyridin-2-one
CID 71543108
methyl 2-(1,4-diphenylpyrazol-3-yl)oxyacetate
CID 154148416
1-(4-fluorophenyl)-4-(4-methylphenyl)-3-propylpyrazole
CID 142867371
4-[2-[4-(4-chlorophenyl)-1-phenylpyrazol-3-yl]oxyethyl]morpholine
CID 3047072
1-(4-methylphenyl)-3-propoxypyrazole
CID 145188885
4-(methoxymethoxy)-1-(4-methylphenyl)pyrazole
CID 177250502

Frequently Asked Questions

What is the IUPAC name of 2-[1,4-bis(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine?
The IUPAC name of 2-[1,4-bis(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine (CID 3046960) is 2-[1,4-bis(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine.
What is the SMILES notation for 2-[1,4-bis(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine?
The canonical SMILES for 2-[1,4-bis(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine is Cc1ccc(-c2cn(-c3ccc(C)cc3)nc2OCCN(C)C)cc1.
What is the InChIKey of 2-[1,4-bis(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine?
The InChIKey is MOODKFJAGOJIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-16-5-9-18(10-6-16)20-15-24(19-11-7-17(2)8-12-19)22-21(20)25-14-13-23(3)4/h5-12,15H,13-14H2,1-4H3.
What are the key properties of 2-[1,4-bis(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine?
2-[1,4-bis(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine has a molecular weight of 335.45 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,4-bis(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine is sourced from PubChem (CID 3046960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).