3-[1-(4-chlorophenyl)-4-(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylpropan-1-amine

C21H24ClN3O — CID 3046986

IUPAC3-[1-(4-chlorophenyl)-4-(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylpropan-1-amine
SMILESCc1ccc(-c2cn(-c3ccc(Cl)cc3)nc2OCCCN(C)C)cc1
InChIInChI=1S/C21H24ClN3O/c1-16-5-7-17(8-6-16)20-15-25(19-11-9-18(22)10-12-19)23-21(20)26-14-4-13-24(2)3/h5-12,15H,4,13-14H2,1-3H3
InChIKeyOZBKKSXNSYJZKF-UHFFFAOYSA-N
MW369.90 g/mol
LogP4.83
Rot. Bonds7

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

3-[1-(4-chlorophenyl)-4-(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylpropan-1-amine (PubChem CID 3046986) has the molecular formula C21H24ClN3O and a molecular weight of 369.90 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)-4-(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)-4-(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylpropan-1-amine
PubChem CID3046986
Molecular FormulaC21H24ClN3O
Molecular Weight369.90 g/mol
Exact Mass369.16
IUPAC Name3-[1-(4-chlorophenyl)-4-(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylpropan-1-amine
SMILESCc1ccc(-c2cn(-c3ccc(Cl)cc3)nc2OCCCN(C)C)cc1
InChIInChI=1S/C21H24ClN3O/c1-16-5-7-17(8-6-16)20-15-25(19-11-9-18(22)10-12-19)23-21(20)26-14-4-13-24(2)3/h5-12,15H,4,13-14H2,1-3H3
InChIKeyOZBKKSXNSYJZKF-UHFFFAOYSA-N
XLogP4.83
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine
CID 3046956
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
4-[3-(dimethylamino)propoxy]-1-(4-fluorophenyl)pyrazole-3-carbonyl chloride
CID 87073658
3-(2-chloro-5-methylpyrimidin-4-yl)oxy-N,N-dimethylpropan-1-amine
CID 79076859
2-[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]acetic acid
CID 20542672
3-[4-[1-[4-(4-chlorophenoxy)phenyl]-2-(ethoxymethyl)imidazol-4-yl]phenoxy]-N,N-dimethylpropan-1-amine
CID 126704652
3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazole
CID 23524520
2-[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]acetonitrile
CID 20542746

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)-4-(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[1-(4-chlorophenyl)-4-(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylpropan-1-amine (CID 3046986) is 3-[1-(4-chlorophenyl)-4-(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[1-(4-chlorophenyl)-4-(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[1-(4-chlorophenyl)-4-(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylpropan-1-amine is Cc1ccc(-c2cn(-c3ccc(Cl)cc3)nc2OCCCN(C)C)cc1.
What is the InChIKey of 3-[1-(4-chlorophenyl)-4-(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylpropan-1-amine?
The InChIKey is OZBKKSXNSYJZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O/c1-16-5-7-17(8-6-16)20-15-25(19-11-9-18(22)10-12-19)23-21(20)26-14-4-13-24(2)3/h5-12,15H,4,13-14H2,1-3H3.
What are the key properties of 3-[1-(4-chlorophenyl)-4-(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylpropan-1-amine?
3-[1-(4-chlorophenyl)-4-(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylpropan-1-amine has a molecular weight of 369.90 g/mol, XLogP of 4.83, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)-4-(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 3046986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).