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

C16H22N6 — CID 134919242

IUPAC1-[bis(4,5-dimethylpyrazol-1-yl)methyl]-4,5-dimethylpyrazole
SMILESCc1cnn(C(n2ncc(C)c2C)n2ncc(C)c2C)c1C
InChIInChI=1S/C16H22N6/c1-10-7-17-20(13(10)4)16(21-14(5)11(2)8-18-21)22-15(6)12(3)9-19-22/h7-9,16H,1-6H3
InChIKeyOUZPKFBUHQIQSO-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.68
Rot. Bonds3

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

1-[bis(4,5-dimethylpyrazol-1-yl)methyl]-4,5-dimethylpyrazole (PubChem CID 134919242) has the molecular formula C16H22N6 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[bis(4,5-dimethylpyrazol-1-yl)methyl]-4,5-dimethylpyrazole.

Molecular Properties

Compound Name1-[bis(4,5-dimethylpyrazol-1-yl)methyl]-4,5-dimethylpyrazole
PubChem CID134919242
Molecular FormulaC16H22N6
Molecular Weight298.39 g/mol
Exact Mass298.19
IUPAC Name1-[bis(4,5-dimethylpyrazol-1-yl)methyl]-4,5-dimethylpyrazole
SMILESCc1cnn(C(n2ncc(C)c2C)n2ncc(C)c2C)c1C
InChIInChI=1S/C16H22N6/c1-10-7-17-20(13(10)4)16(21-14(5)11(2)8-18-21)22-15(6)12(3)9-19-22/h7-9,16H,1-6H3
InChIKeyOUZPKFBUHQIQSO-UHFFFAOYSA-N
XLogP2.68
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(4,5-dimethylpyrazol-1-yl)methyl]-4,5-dimethylpyrazole?
The IUPAC name of 1-[bis(4,5-dimethylpyrazol-1-yl)methyl]-4,5-dimethylpyrazole (CID 134919242) is 1-[bis(4,5-dimethylpyrazol-1-yl)methyl]-4,5-dimethylpyrazole.
What is the SMILES notation for 1-[bis(4,5-dimethylpyrazol-1-yl)methyl]-4,5-dimethylpyrazole?
The canonical SMILES for 1-[bis(4,5-dimethylpyrazol-1-yl)methyl]-4,5-dimethylpyrazole is Cc1cnn(C(n2ncc(C)c2C)n2ncc(C)c2C)c1C.
What is the InChIKey of 1-[bis(4,5-dimethylpyrazol-1-yl)methyl]-4,5-dimethylpyrazole?
The InChIKey is OUZPKFBUHQIQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6/c1-10-7-17-20(13(10)4)16(21-14(5)11(2)8-18-21)22-15(6)12(3)9-19-22/h7-9,16H,1-6H3.
What are the key properties of 1-[bis(4,5-dimethylpyrazol-1-yl)methyl]-4,5-dimethylpyrazole?
1-[bis(4,5-dimethylpyrazol-1-yl)methyl]-4,5-dimethylpyrazole has a molecular weight of 298.39 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4,5-dimethylpyrazol-1-yl)methyl]-4,5-dimethylpyrazole is sourced from PubChem (CID 134919242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).