4-[3-[(1-ethylimidazol-2-yl)methyl]-5-phenylimidazol-4-yl]-3,5-dimethyl-1H-pyrazole

C20H22N6 — CID 50979592

IUPAC4-[3-[(1-ethylimidazol-2-yl)methyl]-5-phenylimidazol-4-yl]-3,5-dimethyl-1H-pyrazole
SMILESCCn1ccnc1Cn1cnc(-c2ccccc2)c1-c1c(C)n[nH]c1C
InChIInChI=1S/C20H22N6/c1-4-25-11-10-21-17(25)12-26-13-22-19(16-8-6-5-7-9-16)20(26)18-14(2)23-24-15(18)3/h5-11,13H,4,12H2,1-3H3,(H,23,24)
InChIKeyVPCUNKAGWNDYSE-UHFFFAOYSA-N
MW346.44 g/mol
LogP3.82
Rot. Bonds5

About 4-[3-[(1-ethylimidazol-2-yl)methyl]-5-phenylimidazol-4-yl]-3,5-dimethyl-1H-pyrazole

4-[3-[(1-ethylimidazol-2-yl)methyl]-5-phenylimidazol-4-yl]-3,5-dimethyl-1H-pyrazole (PubChem CID 50979592) has the molecular formula C20H22N6 and a molecular weight of 346.44 g/mol. Its IUPAC name is 4-[3-[(1-ethylimidazol-2-yl)methyl]-5-phenylimidazol-4-yl]-3,5-dimethyl-1H-pyrazole.

Molecular Properties

Compound Name4-[3-[(1-ethylimidazol-2-yl)methyl]-5-phenylimidazol-4-yl]-3,5-dimethyl-1H-pyrazole
PubChem CID50979592
Molecular FormulaC20H22N6
Molecular Weight346.44 g/mol
Exact Mass346.19
IUPAC Name4-[3-[(1-ethylimidazol-2-yl)methyl]-5-phenylimidazol-4-yl]-3,5-dimethyl-1H-pyrazole
SMILESCCn1ccnc1Cn1cnc(-c2ccccc2)c1-c1c(C)n[nH]c1C
InChIInChI=1S/C20H22N6/c1-4-25-11-10-21-17(25)12-26-13-22-19(16-8-6-5-7-9-16)20(26)18-14(2)23-24-15(18)3/h5-11,13H,4,12H2,1-3H3,(H,23,24)
InChIKeyVPCUNKAGWNDYSE-UHFFFAOYSA-N
XLogP3.82
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(1-ethylimidazol-2-yl)methyl]-5-phenylimidazol-4-yl]-3,5-dimethyl-1H-pyrazole?
The IUPAC name of 4-[3-[(1-ethylimidazol-2-yl)methyl]-5-phenylimidazol-4-yl]-3,5-dimethyl-1H-pyrazole (CID 50979592) is 4-[3-[(1-ethylimidazol-2-yl)methyl]-5-phenylimidazol-4-yl]-3,5-dimethyl-1H-pyrazole.
What is the SMILES notation for 4-[3-[(1-ethylimidazol-2-yl)methyl]-5-phenylimidazol-4-yl]-3,5-dimethyl-1H-pyrazole?
The canonical SMILES for 4-[3-[(1-ethylimidazol-2-yl)methyl]-5-phenylimidazol-4-yl]-3,5-dimethyl-1H-pyrazole is CCn1ccnc1Cn1cnc(-c2ccccc2)c1-c1c(C)n[nH]c1C.
What is the InChIKey of 4-[3-[(1-ethylimidazol-2-yl)methyl]-5-phenylimidazol-4-yl]-3,5-dimethyl-1H-pyrazole?
The InChIKey is VPCUNKAGWNDYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6/c1-4-25-11-10-21-17(25)12-26-13-22-19(16-8-6-5-7-9-16)20(26)18-14(2)23-24-15(18)3/h5-11,13H,4,12H2,1-3H3,(H,23,24).
What are the key properties of 4-[3-[(1-ethylimidazol-2-yl)methyl]-5-phenylimidazol-4-yl]-3,5-dimethyl-1H-pyrazole?
4-[3-[(1-ethylimidazol-2-yl)methyl]-5-phenylimidazol-4-yl]-3,5-dimethyl-1H-pyrazole has a molecular weight of 346.44 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(1-ethylimidazol-2-yl)methyl]-5-phenylimidazol-4-yl]-3,5-dimethyl-1H-pyrazole is sourced from PubChem (CID 50979592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).