4-(Imidazol-1-ylmethyl)-3-(4-methoxyphenyl)-1-phenyl-pyrazole

C20H18N4O — CID 41673734

IUPAC4-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)-1-phenylpyrazole
SMILESCOC1=CC=C(C=C1)C2=NN(C=C2CN3C=CN=C3)C4=CC=CC=C4
InChIInChI=1S/C20H18N4O/c1-25-19-9-7-16(8-10-19)20-17(13-23-12-11-21-15-23)14-24(22-20)18-5-3-2-4-6-18/h2-12,14-15H,13H2,1H3
InChIKeyCZOCKHTYPCJURT-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.20
Rot. Bonds5

About 4-(Imidazol-1-ylmethyl)-3-(4-methoxyphenyl)-1-phenyl-pyrazole

4-(Imidazol-1-ylmethyl)-3-(4-methoxyphenyl)-1-phenyl-pyrazole (PubChem CID 41673734) has the molecular formula C20H18N4O and a molecular weight of 330.40 g/mol. Its IUPAC name is 4-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)-1-phenylpyrazole.

Molecular Properties

Compound Name4-(Imidazol-1-ylmethyl)-3-(4-methoxyphenyl)-1-phenyl-pyrazole
PubChem CID41673734
Molecular FormulaC20H18N4O
Molecular Weight330.40 g/mol
Exact Mass330.15
IUPAC Name4-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)-1-phenylpyrazole
SMILESCOC1=CC=C(C=C1)C2=NN(C=C2CN3C=CN=C3)C4=CC=CC=C4
InChIInChI=1S/C20H18N4O/c1-25-19-9-7-16(8-10-19)20-17(13-23-12-11-21-15-23)14-24(22-20)18-5-3-2-4-6-18/h2-12,14-15H,13H2,1H3
InChIKeyCZOCKHTYPCJURT-UHFFFAOYSA-N
XLogP3.20
TPSA44.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity407

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl substituted pyrazole, 27
CID 23648674
Pyrazolo[1,5-b]pyridazine deriv. 70
CID 6539412
4-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]-1H-imidazole
CID 6539900
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
1-(4-Methoxybenzyl)-5-phenyl-1H-imidazole
CID 45103811
[7-(2-Methoxy-phenyl)-pyrrolo[2,1-f][1,2,4]triazin-2-yl]-[3-(4-methyl-piperazin-1-yl)-phenyl]-amine
CID 57402937
4-(azetidin-1-yl)-5-[5-(4-methoxy-2-methylphenyl)-1-methyl-1H-pyrazol-4-yl]-7-methylimidazo[5,1-f][1,2,4]triazine
CID 68181883
4-(Azetidin-1-yl)-5-[5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazol-4-yl]-7-methylimidazo[5,1-f][1,2,4]triazine
CID 68181996
3,6-Bis(4-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazine
CID 134179384
3,6-Bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrimidine
CID 134179385
7-(4-Methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 4773323

Frequently Asked Questions

What is the IUPAC name of 4-(Imidazol-1-ylmethyl)-3-(4-methoxyphenyl)-1-phenyl-pyrazole?
The IUPAC name of 4-(Imidazol-1-ylmethyl)-3-(4-methoxyphenyl)-1-phenyl-pyrazole (CID 41673734) is 4-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)-1-phenylpyrazole.
What is the SMILES notation for 4-(Imidazol-1-ylmethyl)-3-(4-methoxyphenyl)-1-phenyl-pyrazole?
The canonical SMILES for 4-(Imidazol-1-ylmethyl)-3-(4-methoxyphenyl)-1-phenyl-pyrazole is COC1=CC=C(C=C1)C2=NN(C=C2CN3C=CN=C3)C4=CC=CC=C4.
What is the InChIKey of 4-(Imidazol-1-ylmethyl)-3-(4-methoxyphenyl)-1-phenyl-pyrazole?
The InChIKey is CZOCKHTYPCJURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-25-19-9-7-16(8-10-19)20-17(13-23-12-11-21-15-23)14-24(22-20)18-5-3-2-4-6-18/h2-12,14-15H,13H2,1H3.
What are the key properties of 4-(Imidazol-1-ylmethyl)-3-(4-methoxyphenyl)-1-phenyl-pyrazole?
4-(Imidazol-1-ylmethyl)-3-(4-methoxyphenyl)-1-phenyl-pyrazole has a molecular weight of 330.40 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(Imidazol-1-ylmethyl)-3-(4-methoxyphenyl)-1-phenyl-pyrazole is sourced from PubChem (CID 41673734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).