1-[bis(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-4-ethyl-3,5-dimethylpyrazole

C22H34N6 — CID 139919703

IUPAC1-[bis(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-4-ethyl-3,5-dimethylpyrazole
SMILESCCc1c(C)nn(C(n2nc(C)c(CC)c2C)n2nc(C)c(CC)c2C)c1C
InChIInChI=1S/C22H34N6/c1-10-19-13(4)23-26(16(19)7)22(27-17(8)20(11-2)14(5)24-27)28-18(9)21(12-3)15(6)25-28/h22H,10-12H2,1-9H3
InChIKeyYTWKUQNOZNQLCC-UHFFFAOYSA-N
MW382.56 g/mol
LogP4.37
Rot. Bonds6

About 1-[bis(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-4-ethyl-3,5-dimethylpyrazole

1-[bis(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-4-ethyl-3,5-dimethylpyrazole (PubChem CID 139919703) has the molecular formula C22H34N6 and a molecular weight of 382.56 g/mol. Its IUPAC name is 1-[bis(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-4-ethyl-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-[bis(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-4-ethyl-3,5-dimethylpyrazole
PubChem CID139919703
Molecular FormulaC22H34N6
Molecular Weight382.56 g/mol
Exact Mass382.28
IUPAC Name1-[bis(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-4-ethyl-3,5-dimethylpyrazole
SMILESCCc1c(C)nn(C(n2nc(C)c(CC)c2C)n2nc(C)c(CC)c2C)c1C
InChIInChI=1S/C22H34N6/c1-10-19-13(4)23-26(16(19)7)22(27-17(8)20(11-2)14(5)24-27)28-18(9)21(12-3)15(6)25-28/h22H,10-12H2,1-9H3
InChIKeyYTWKUQNOZNQLCC-UHFFFAOYSA-N
XLogP4.37
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.56
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-4-ethyl-3,5-dimethylpyrazole?
The IUPAC name of 1-[bis(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-4-ethyl-3,5-dimethylpyrazole (CID 139919703) is 1-[bis(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-4-ethyl-3,5-dimethylpyrazole.
What is the SMILES notation for 1-[bis(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-4-ethyl-3,5-dimethylpyrazole?
The canonical SMILES for 1-[bis(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-4-ethyl-3,5-dimethylpyrazole is CCc1c(C)nn(C(n2nc(C)c(CC)c2C)n2nc(C)c(CC)c2C)c1C.
What is the InChIKey of 1-[bis(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-4-ethyl-3,5-dimethylpyrazole?
The InChIKey is YTWKUQNOZNQLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N6/c1-10-19-13(4)23-26(16(19)7)22(27-17(8)20(11-2)14(5)24-27)28-18(9)21(12-3)15(6)25-28/h22H,10-12H2,1-9H3.
What are the key properties of 1-[bis(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-4-ethyl-3,5-dimethylpyrazole?
1-[bis(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-4-ethyl-3,5-dimethylpyrazole has a molecular weight of 382.56 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-4-ethyl-3,5-dimethylpyrazole is sourced from PubChem (CID 139919703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).