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

C11H16N4 — CID 5245492

IUPAC1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole
SMILESCc1cc(C)n(Cn2nc(C)cc2C)n1
InChIInChI=1S/C11H16N4/c1-8-5-10(3)14(12-8)7-15-11(4)6-9(2)13-15/h5-6H,7H2,1-4H3
InChIKeyLGQXVRIHIPWAFZ-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.82
Rot. Bonds2

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

1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole (PubChem CID 5245492) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole
PubChem CID5245492
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole
SMILESCc1cc(C)n(Cn2nc(C)cc2C)n1
InChIInChI=1S/C11H16N4/c1-8-5-10(3)14(12-8)7-15-11(4)6-9(2)13-15/h5-6H,7H2,1-4H3
InChIKeyLGQXVRIHIPWAFZ-UHFFFAOYSA-N
XLogP1.82
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole?
The IUPAC name of 1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole (CID 5245492) is 1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole.
What is the SMILES notation for 1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole?
The canonical SMILES for 1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole is Cc1cc(C)n(Cn2nc(C)cc2C)n1.
What is the InChIKey of 1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole?
The InChIKey is LGQXVRIHIPWAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-8-5-10(3)14(12-8)7-15-11(4)6-9(2)13-15/h5-6H,7H2,1-4H3.
What are the key properties of 1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole?
1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole has a molecular weight of 204.28 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazole is sourced from PubChem (CID 5245492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).