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

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

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Related Compounds

4-{1-methyl-4-[4-(1H-pyrazol-3-yl)phenyl]-1H-pyrazol-3-yl}pyridine
CID 25093324
4-{1-methyl-4-[4-(4-methyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazol-3-yl}pyridine
CID 25093325
1',3'-dimethyl-1H,1'H-3,4'-bipyrazole
CID 7147386
N-[(3-biphenyl-4-yl-1H-pyrazol-4-yl)methyl]-N-ethyl-2-(1H-pyrazol-1-yl)ethanamine
CID 16192057
N-[(3-biphenyl-4-yl-1H-pyrazol-4-yl)methyl]-N-methyl-2-(1-methyl-1H-pyrazol-4-yl)ethanamine
CID 16192187
1-(1-ethylpyrazol-4-yl)-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]methanamine
CID 25286593
N-[(3-biphenyl-4-yl-1H-pyrazol-4-yl)methyl]-2-(1-methyl-1H-pyrazol-4-yl)ethanamine
CID 16190883
US10155727, Example 44
CID 118864198
US10155727, Example 41
CID 118864287
US10155727, Example 40
CID 118864296
US10155727, Example 93
CID 118864321
US10155727, Example 46
CID 118864329

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).