4-[3-(1,3-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,3-dimethylpyrazole

C13H16N6 — CID 19588279

IUPAC4-[3-(1,3-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,3-dimethylpyrazole
SMILESCc1nn(C)cc1-c1cc(-c2cn(C)nc2C)[nH]n1
InChIInChI=1S/C13H16N6/c1-8-10(6-18(3)16-8)12-5-13(15-14-12)11-7-19(4)17-9(11)2/h5-7H,1-4H3,(H,14,15)
InChIKeySDVASZQVELILDB-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.83
Rot. Bonds2

About 4-[3-(1,3-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,3-dimethylpyrazole

4-[3-(1,3-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,3-dimethylpyrazole (PubChem CID 19588279) has the molecular formula C13H16N6 and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-[3-(1,3-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,3-dimethylpyrazole.

Molecular Properties

Compound Name4-[3-(1,3-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,3-dimethylpyrazole
PubChem CID19588279
Molecular FormulaC13H16N6
Molecular Weight256.31 g/mol
Exact Mass256.14
IUPAC Name4-[3-(1,3-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,3-dimethylpyrazole
SMILESCc1nn(C)cc1-c1cc(-c2cn(C)nc2C)[nH]n1
InChIInChI=1S/C13H16N6/c1-8-10(6-18(3)16-8)12-5-13(15-14-12)11-7-19(4)17-9(11)2/h5-7H,1-4H3,(H,14,15)
InChIKeySDVASZQVELILDB-UHFFFAOYSA-N
XLogP1.83
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1,3-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,3-dimethylpyrazole?
The IUPAC name of 4-[3-(1,3-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,3-dimethylpyrazole (CID 19588279) is 4-[3-(1,3-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,3-dimethylpyrazole.
What is the SMILES notation for 4-[3-(1,3-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,3-dimethylpyrazole?
The canonical SMILES for 4-[3-(1,3-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,3-dimethylpyrazole is Cc1nn(C)cc1-c1cc(-c2cn(C)nc2C)[nH]n1.
What is the InChIKey of 4-[3-(1,3-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,3-dimethylpyrazole?
The InChIKey is SDVASZQVELILDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6/c1-8-10(6-18(3)16-8)12-5-13(15-14-12)11-7-19(4)17-9(11)2/h5-7H,1-4H3,(H,14,15).
What are the key properties of 4-[3-(1,3-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,3-dimethylpyrazole?
4-[3-(1,3-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,3-dimethylpyrazole has a molecular weight of 256.31 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1,3-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,3-dimethylpyrazole is sourced from PubChem (CID 19588279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).