3-[5-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]-4-phenylimidazol-1-yl]propan-1-ol

C23H24N4O2 — CID 50964944

IUPAC3-[5-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]-4-phenylimidazol-1-yl]propan-1-ol
SMILESCOc1ccc(-n2ncc(-c3c(-c4ccccc4)ncn3CCCO)c2C)cc1
InChIInChI=1S/C23H24N4O2/c1-17-21(15-25-27(17)19-9-11-20(29-2)12-10-19)23-22(18-7-4-3-5-8-18)24-16-26(23)13-6-14-28/h3-5,7-12,15-16,28H,6,13-14H2,1-2H3
InChIKeyVNLGEVAAHSVPCJ-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.10
Rot. Bonds7

About 3-[5-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]-4-phenylimidazol-1-yl]propan-1-ol

3-[5-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]-4-phenylimidazol-1-yl]propan-1-ol (PubChem CID 50964944) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 3-[5-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]-4-phenylimidazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]-4-phenylimidazol-1-yl]propan-1-ol
PubChem CID50964944
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name3-[5-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]-4-phenylimidazol-1-yl]propan-1-ol
SMILESCOc1ccc(-n2ncc(-c3c(-c4ccccc4)ncn3CCCO)c2C)cc1
InChIInChI=1S/C23H24N4O2/c1-17-21(15-25-27(17)19-9-11-20(29-2)12-10-19)23-22(18-7-4-3-5-8-18)24-16-26(23)13-6-14-28/h3-5,7-12,15-16,28H,6,13-14H2,1-2H3
InChIKeyVNLGEVAAHSVPCJ-UHFFFAOYSA-N
XLogP4.10
TPSA65.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]-4-phenylimidazol-1-yl]propan-1-ol?
The IUPAC name of 3-[5-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]-4-phenylimidazol-1-yl]propan-1-ol (CID 50964944) is 3-[5-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]-4-phenylimidazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[5-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]-4-phenylimidazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[5-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]-4-phenylimidazol-1-yl]propan-1-ol is COc1ccc(-n2ncc(-c3c(-c4ccccc4)ncn3CCCO)c2C)cc1.
What is the InChIKey of 3-[5-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]-4-phenylimidazol-1-yl]propan-1-ol?
The InChIKey is VNLGEVAAHSVPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-17-21(15-25-27(17)19-9-11-20(29-2)12-10-19)23-22(18-7-4-3-5-8-18)24-16-26(23)13-6-14-28/h3-5,7-12,15-16,28H,6,13-14H2,1-2H3.
What are the key properties of 3-[5-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]-4-phenylimidazol-1-yl]propan-1-ol?
3-[5-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]-4-phenylimidazol-1-yl]propan-1-ol has a molecular weight of 388.47 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]-4-phenylimidazol-1-yl]propan-1-ol is sourced from PubChem (CID 50964944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).