1-[bis(3,4,5-trimethylpyrazol-1-yl)methyl]-3,4,5-trimethylpyrazole

C19H28N6 — CID 12054059

IUPAC1-[bis(3,4,5-trimethylpyrazol-1-yl)methyl]-3,4,5-trimethylpyrazole
SMILESCc1nn(C(n2nc(C)c(C)c2C)n2nc(C)c(C)c2C)c(C)c1C
InChIInChI=1S/C19H28N6/c1-10-13(4)20-23(16(10)7)19(24-17(8)11(2)14(5)21-24)25-18(9)12(3)15(6)22-25/h19H,1-9H3
InChIKeyGAEQCBJHCTVXKF-UHFFFAOYSA-N
MW340.48 g/mol
LogP3.60
Rot. Bonds3

About 1-[bis(3,4,5-trimethylpyrazol-1-yl)methyl]-3,4,5-trimethylpyrazole

1-[bis(3,4,5-trimethylpyrazol-1-yl)methyl]-3,4,5-trimethylpyrazole (PubChem CID 12054059) has the molecular formula C19H28N6 and a molecular weight of 340.48 g/mol. Its IUPAC name is 1-[bis(3,4,5-trimethylpyrazol-1-yl)methyl]-3,4,5-trimethylpyrazole.

Molecular Properties

Compound Name1-[bis(3,4,5-trimethylpyrazol-1-yl)methyl]-3,4,5-trimethylpyrazole
PubChem CID12054059
Molecular FormulaC19H28N6
Molecular Weight340.48 g/mol
Exact Mass340.24
IUPAC Name1-[bis(3,4,5-trimethylpyrazol-1-yl)methyl]-3,4,5-trimethylpyrazole
SMILESCc1nn(C(n2nc(C)c(C)c2C)n2nc(C)c(C)c2C)c(C)c1C
InChIInChI=1S/C19H28N6/c1-10-13(4)20-23(16(10)7)19(24-17(8)11(2)14(5)21-24)25-18(9)12(3)15(6)22-25/h19H,1-9H3
InChIKeyGAEQCBJHCTVXKF-UHFFFAOYSA-N
XLogP3.60
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.48
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(3,4,5-trimethylpyrazol-1-yl)methyl]-3,4,5-trimethylpyrazole?
The IUPAC name of 1-[bis(3,4,5-trimethylpyrazol-1-yl)methyl]-3,4,5-trimethylpyrazole (CID 12054059) is 1-[bis(3,4,5-trimethylpyrazol-1-yl)methyl]-3,4,5-trimethylpyrazole.
What is the SMILES notation for 1-[bis(3,4,5-trimethylpyrazol-1-yl)methyl]-3,4,5-trimethylpyrazole?
The canonical SMILES for 1-[bis(3,4,5-trimethylpyrazol-1-yl)methyl]-3,4,5-trimethylpyrazole is Cc1nn(C(n2nc(C)c(C)c2C)n2nc(C)c(C)c2C)c(C)c1C.
What is the InChIKey of 1-[bis(3,4,5-trimethylpyrazol-1-yl)methyl]-3,4,5-trimethylpyrazole?
The InChIKey is GAEQCBJHCTVXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6/c1-10-13(4)20-23(16(10)7)19(24-17(8)11(2)14(5)21-24)25-18(9)12(3)15(6)22-25/h19H,1-9H3.
What are the key properties of 1-[bis(3,4,5-trimethylpyrazol-1-yl)methyl]-3,4,5-trimethylpyrazole?
1-[bis(3,4,5-trimethylpyrazol-1-yl)methyl]-3,4,5-trimethylpyrazole has a molecular weight of 340.48 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(3,4,5-trimethylpyrazol-1-yl)methyl]-3,4,5-trimethylpyrazole is sourced from PubChem (CID 12054059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).