1-[[5-[3-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrrol-2-yl]pentan-3-yl]-1H-pyrrol-2-yl]methyl]-3,5-dimethylpyrazole

C25H34N6 — CID 122402284

IUPAC1-[[5-[3-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrrol-2-yl]pentan-3-yl]-1H-pyrrol-2-yl]methyl]-3,5-dimethylpyrazole
SMILESCCC(CC)(c1ccc(Cn2nc(C)cc2C)[nH]1)c1ccc(Cn2nc(C)cc2C)[nH]1
InChIInChI=1S/C25H34N6/c1-7-25(8-2,23-11-9-21(26-23)15-30-19(5)13-17(3)28-30)24-12-10-22(27-24)16-31-20(6)14-18(4)29-31/h9-14,26-27H,7-8,15-16H2,1-6H3
InChIKeyLAELJQBTYRGKOA-UHFFFAOYSA-N
MW418.59 g/mol
LogP5.17
Rot. Bonds8

About 1-[[5-[3-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrrol-2-yl]pentan-3-yl]-1H-pyrrol-2-yl]methyl]-3,5-dimethylpyrazole

1-[[5-[3-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrrol-2-yl]pentan-3-yl]-1H-pyrrol-2-yl]methyl]-3,5-dimethylpyrazole (PubChem CID 122402284) has the molecular formula C25H34N6 and a molecular weight of 418.59 g/mol. Its IUPAC name is 1-[[5-[3-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrrol-2-yl]pentan-3-yl]-1H-pyrrol-2-yl]methyl]-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-[[5-[3-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrrol-2-yl]pentan-3-yl]-1H-pyrrol-2-yl]methyl]-3,5-dimethylpyrazole
PubChem CID122402284
Molecular FormulaC25H34N6
Molecular Weight418.59 g/mol
Exact Mass418.28
IUPAC Name1-[[5-[3-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrrol-2-yl]pentan-3-yl]-1H-pyrrol-2-yl]methyl]-3,5-dimethylpyrazole
SMILESCCC(CC)(c1ccc(Cn2nc(C)cc2C)[nH]1)c1ccc(Cn2nc(C)cc2C)[nH]1
InChIInChI=1S/C25H34N6/c1-7-25(8-2,23-11-9-21(26-23)15-30-19(5)13-17(3)28-30)24-12-10-22(27-24)16-31-20(6)14-18(4)29-31/h9-14,26-27H,7-8,15-16H2,1-6H3
InChIKeyLAELJQBTYRGKOA-UHFFFAOYSA-N
XLogP5.17
TPSA67.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.59
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[5-[3-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrrol-2-yl]pentan-3-yl]-1H-pyrrol-2-yl]methyl]-3,5-dimethylpyrazole with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-[3-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrrol-2-yl]pentan-3-yl]-1H-pyrrol-2-yl]methyl]-3,5-dimethylpyrazole?
The IUPAC name of 1-[[5-[3-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrrol-2-yl]pentan-3-yl]-1H-pyrrol-2-yl]methyl]-3,5-dimethylpyrazole (CID 122402284) is 1-[[5-[3-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrrol-2-yl]pentan-3-yl]-1H-pyrrol-2-yl]methyl]-3,5-dimethylpyrazole.
What is the SMILES notation for 1-[[5-[3-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrrol-2-yl]pentan-3-yl]-1H-pyrrol-2-yl]methyl]-3,5-dimethylpyrazole?
The canonical SMILES for 1-[[5-[3-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrrol-2-yl]pentan-3-yl]-1H-pyrrol-2-yl]methyl]-3,5-dimethylpyrazole is CCC(CC)(c1ccc(Cn2nc(C)cc2C)[nH]1)c1ccc(Cn2nc(C)cc2C)[nH]1.
What is the InChIKey of 1-[[5-[3-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrrol-2-yl]pentan-3-yl]-1H-pyrrol-2-yl]methyl]-3,5-dimethylpyrazole?
The InChIKey is LAELJQBTYRGKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6/c1-7-25(8-2,23-11-9-21(26-23)15-30-19(5)13-17(3)28-30)24-12-10-22(27-24)16-31-20(6)14-18(4)29-31/h9-14,26-27H,7-8,15-16H2,1-6H3.
What are the key properties of 1-[[5-[3-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrrol-2-yl]pentan-3-yl]-1H-pyrrol-2-yl]methyl]-3,5-dimethylpyrazole?
1-[[5-[3-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrrol-2-yl]pentan-3-yl]-1H-pyrrol-2-yl]methyl]-3,5-dimethylpyrazole has a molecular weight of 418.59 g/mol, XLogP of 5.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[3-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrrol-2-yl]pentan-3-yl]-1H-pyrrol-2-yl]methyl]-3,5-dimethylpyrazole is sourced from PubChem (CID 122402284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).