3,5-dimethyl-4-[[4-phenyl-5-(1-propylimidazol-2-yl)imidazol-1-yl]methyl]-1H-pyrazole

C21H24N6 — CID 50982924

IUPAC3,5-dimethyl-4-[[4-phenyl-5-(1-propylimidazol-2-yl)imidazol-1-yl]methyl]-1H-pyrazole
SMILESCCCn1ccnc1-c1c(-c2ccccc2)ncn1Cc1c(C)n[nH]c1C
InChIInChI=1S/C21H24N6/c1-4-11-26-12-10-22-21(26)20-19(17-8-6-5-7-9-17)23-14-27(20)13-18-15(2)24-25-16(18)3/h5-10,12,14H,4,11,13H2,1-3H3,(H,24,25)
InChIKeyUGCACSUQHDWZTB-UHFFFAOYSA-N
MW360.47 g/mol
LogP4.21
Rot. Bonds6

About 3,5-dimethyl-4-[[4-phenyl-5-(1-propylimidazol-2-yl)imidazol-1-yl]methyl]-1H-pyrazole

3,5-dimethyl-4-[[4-phenyl-5-(1-propylimidazol-2-yl)imidazol-1-yl]methyl]-1H-pyrazole (PubChem CID 50982924) has the molecular formula C21H24N6 and a molecular weight of 360.47 g/mol. Its IUPAC name is 3,5-dimethyl-4-[[4-phenyl-5-(1-propylimidazol-2-yl)imidazol-1-yl]methyl]-1H-pyrazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[[4-phenyl-5-(1-propylimidazol-2-yl)imidazol-1-yl]methyl]-1H-pyrazole
PubChem CID50982924
Molecular FormulaC21H24N6
Molecular Weight360.47 g/mol
Exact Mass360.21
IUPAC Name3,5-dimethyl-4-[[4-phenyl-5-(1-propylimidazol-2-yl)imidazol-1-yl]methyl]-1H-pyrazole
SMILESCCCn1ccnc1-c1c(-c2ccccc2)ncn1Cc1c(C)n[nH]c1C
InChIInChI=1S/C21H24N6/c1-4-11-26-12-10-22-21(26)20-19(17-8-6-5-7-9-17)23-14-27(20)13-18-15(2)24-25-16(18)3/h5-10,12,14H,4,11,13H2,1-3H3,(H,24,25)
InChIKeyUGCACSUQHDWZTB-UHFFFAOYSA-N
XLogP4.21
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[[4-phenyl-5-(1-propylimidazol-2-yl)imidazol-1-yl]methyl]-1H-pyrazole?
The IUPAC name of 3,5-dimethyl-4-[[4-phenyl-5-(1-propylimidazol-2-yl)imidazol-1-yl]methyl]-1H-pyrazole (CID 50982924) is 3,5-dimethyl-4-[[4-phenyl-5-(1-propylimidazol-2-yl)imidazol-1-yl]methyl]-1H-pyrazole.
What is the SMILES notation for 3,5-dimethyl-4-[[4-phenyl-5-(1-propylimidazol-2-yl)imidazol-1-yl]methyl]-1H-pyrazole?
The canonical SMILES for 3,5-dimethyl-4-[[4-phenyl-5-(1-propylimidazol-2-yl)imidazol-1-yl]methyl]-1H-pyrazole is CCCn1ccnc1-c1c(-c2ccccc2)ncn1Cc1c(C)n[nH]c1C.
What is the InChIKey of 3,5-dimethyl-4-[[4-phenyl-5-(1-propylimidazol-2-yl)imidazol-1-yl]methyl]-1H-pyrazole?
The InChIKey is UGCACSUQHDWZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6/c1-4-11-26-12-10-22-21(26)20-19(17-8-6-5-7-9-17)23-14-27(20)13-18-15(2)24-25-16(18)3/h5-10,12,14H,4,11,13H2,1-3H3,(H,24,25).
What are the key properties of 3,5-dimethyl-4-[[4-phenyl-5-(1-propylimidazol-2-yl)imidazol-1-yl]methyl]-1H-pyrazole?
3,5-dimethyl-4-[[4-phenyl-5-(1-propylimidazol-2-yl)imidazol-1-yl]methyl]-1H-pyrazole has a molecular weight of 360.47 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[[4-phenyl-5-(1-propylimidazol-2-yl)imidazol-1-yl]methyl]-1H-pyrazole is sourced from PubChem (CID 50982924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).