4-[3-[2-(2,4-dimethylphenoxy)ethyl]imidazol-4-yl]-3,5-dimethyl-1-propylpyrazole

C21H28N4O — CID 46980596

IUPAC4-[3-[2-(2,4-dimethylphenoxy)ethyl]imidazol-4-yl]-3,5-dimethyl-1-propylpyrazole
SMILESCCCn1nc(C)c(-c2cncn2CCOc2ccc(C)cc2C)c1C
InChIInChI=1S/C21H28N4O/c1-6-9-25-18(5)21(17(4)23-25)19-13-22-14-24(19)10-11-26-20-8-7-15(2)12-16(20)3/h7-8,12-14H,6,9-11H2,1-5H3
InChIKeyKWNVQTZOEKNSEL-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.47
Rot. Bonds7

About 4-[3-[2-(2,4-dimethylphenoxy)ethyl]imidazol-4-yl]-3,5-dimethyl-1-propylpyrazole

4-[3-[2-(2,4-dimethylphenoxy)ethyl]imidazol-4-yl]-3,5-dimethyl-1-propylpyrazole (PubChem CID 46980596) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 4-[3-[2-(2,4-dimethylphenoxy)ethyl]imidazol-4-yl]-3,5-dimethyl-1-propylpyrazole.

Molecular Properties

Compound Name4-[3-[2-(2,4-dimethylphenoxy)ethyl]imidazol-4-yl]-3,5-dimethyl-1-propylpyrazole
PubChem CID46980596
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name4-[3-[2-(2,4-dimethylphenoxy)ethyl]imidazol-4-yl]-3,5-dimethyl-1-propylpyrazole
SMILESCCCn1nc(C)c(-c2cncn2CCOc2ccc(C)cc2C)c1C
InChIInChI=1S/C21H28N4O/c1-6-9-25-18(5)21(17(4)23-25)19-13-22-14-24(19)10-11-26-20-8-7-15(2)12-16(20)3/h7-8,12-14H,6,9-11H2,1-5H3
InChIKeyKWNVQTZOEKNSEL-UHFFFAOYSA-N
XLogP4.47
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl substituted pyrazole, 27
CID 23648674
2-(4-(2-(1H-imidazol-1-yl)ethoxy)phenyl)-4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridine
CID 10294883
1-Methyl-2-[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxymethyl]-1H-benzoimidazole
CID 23648644
2-(5-Methyl-2-propan-2-yl-1,2,4-triazol-3-yl)-9-(1-methylpyrazol-4-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine
CID 58204339
10-[(1R)-1-(4-tert-butylpiperazin-1-yl)ethyl]-9-fluoro-2-(5-methyl-2-propan-2-yl-1,2,4-triazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine
CID 68312763
5-[3-(4-Ethoxy-3-methylphenyl)-5-(2-methoxyethoxymethyl)-1,2,4-triazol-4-yl]-2-methoxypyridine
CID 11486351
5-[2-(4-Benzyl-phenoxy)-ethyl]-5H-imidazo[4,5-c]pyridine
CID 18678160
5-(3-(4-ethoxy-3-methylphenyl)-5-(ethoxymethyl)-4H-1,2,4-triazol-4-yl)-2-methoxypyridine
CID 44579399
5-[3-(4-Ethoxy-3-methylphenyl)-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine
CID 44579400
5-[3-(4-Ethoxy-3-methylphenyl)-5-(triazol-2-ylmethyl)-1,2,4-triazol-4-yl]-2-methoxypyridine
CID 44579442
(S)-2-methoxy-5-(3-(methoxymethyl)-5-(3-(o-tolyloxy)pyrrolidin-1-yl)-4H-1,2,4-triazol-4-yl)pyridine
CID 46225082
1-(2,3-dihydro-benzofuran-5-ylmethyl)-6-(1-methyl-1H-pyrazol-4-yl)-1H-[1,2,3]triazolo[4,5-b]pyrazine
CID 59341790

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(2,4-dimethylphenoxy)ethyl]imidazol-4-yl]-3,5-dimethyl-1-propylpyrazole?
The IUPAC name of 4-[3-[2-(2,4-dimethylphenoxy)ethyl]imidazol-4-yl]-3,5-dimethyl-1-propylpyrazole (CID 46980596) is 4-[3-[2-(2,4-dimethylphenoxy)ethyl]imidazol-4-yl]-3,5-dimethyl-1-propylpyrazole.
What is the SMILES notation for 4-[3-[2-(2,4-dimethylphenoxy)ethyl]imidazol-4-yl]-3,5-dimethyl-1-propylpyrazole?
The canonical SMILES for 4-[3-[2-(2,4-dimethylphenoxy)ethyl]imidazol-4-yl]-3,5-dimethyl-1-propylpyrazole is CCCn1nc(C)c(-c2cncn2CCOc2ccc(C)cc2C)c1C.
What is the InChIKey of 4-[3-[2-(2,4-dimethylphenoxy)ethyl]imidazol-4-yl]-3,5-dimethyl-1-propylpyrazole?
The InChIKey is KWNVQTZOEKNSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-6-9-25-18(5)21(17(4)23-25)19-13-22-14-24(19)10-11-26-20-8-7-15(2)12-16(20)3/h7-8,12-14H,6,9-11H2,1-5H3.
What are the key properties of 4-[3-[2-(2,4-dimethylphenoxy)ethyl]imidazol-4-yl]-3,5-dimethyl-1-propylpyrazole?
4-[3-[2-(2,4-dimethylphenoxy)ethyl]imidazol-4-yl]-3,5-dimethyl-1-propylpyrazole has a molecular weight of 352.48 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(2,4-dimethylphenoxy)ethyl]imidazol-4-yl]-3,5-dimethyl-1-propylpyrazole is sourced from PubChem (CID 46980596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).