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

C13H16N6 — CID 19588300

IUPAC4-[3-(1,5-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,5-dimethylpyrazole
SMILESCc1c(-c2cc(-c3cnn(C)c3C)[nH]n2)cnn1C
InChIInChI=1S/C13H16N6/c1-8-10(6-14-18(8)3)12-5-13(17-16-12)11-7-15-19(4)9(11)2/h5-7H,1-4H3,(H,16,17)
InChIKeyDKCBBDQWKKVTQM-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.83
Rot. Bonds2

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

4-[3-(1,5-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,5-dimethylpyrazole (PubChem CID 19588300) has the molecular formula C13H16N6 and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-[3-(1,5-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,5-dimethylpyrazole.

Molecular Properties

Compound Name4-[3-(1,5-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,5-dimethylpyrazole
PubChem CID19588300
Molecular FormulaC13H16N6
Molecular Weight256.31 g/mol
Exact Mass256.14
IUPAC Name4-[3-(1,5-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,5-dimethylpyrazole
SMILESCc1c(-c2cc(-c3cnn(C)c3C)[nH]n2)cnn1C
InChIInChI=1S/C13H16N6/c1-8-10(6-14-18(8)3)12-5-13(17-16-12)11-7-15-19(4)9(11)2/h5-7H,1-4H3,(H,16,17)
InChIKeyDKCBBDQWKKVTQM-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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Related Compounds

5-[3-(1,5-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 19334548
5-chloro-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole
CID 80646470
N-(4-bromo-1H-pyrazol-5-yl)-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxamide
CID 19590800
2-(1,5-dimethylpyrazol-4-yl)-1H-pyrrolo[3,2-b]pyridine
CID 153303828
3-(1,5-dimethylpyrazol-4-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 56870029
3-[(3S)-1-[3-(1,5-dimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]piperidin-3-yl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 95205468
3-[1-[3-(1,5-dimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 56713056
4-(3-fluoro-4-methylphenyl)-1,5-dimethylpyrazole
CID 121385904
4-chloro-2-(1,5-dimethylpyrazol-4-yl)-6-methylpyrimidine
CID 79583994
3-[3-(1,5-dimethylpyrazol-4-yl)-5-oxo-1H-1,2,4-triazol-4-yl]propanoic acid
CID 50974624
2-(1,5-dimethylpyrazol-4-yl)aniline
CID 66096169
5-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 29091334

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1,5-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,5-dimethylpyrazole?
The IUPAC name of 4-[3-(1,5-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,5-dimethylpyrazole (CID 19588300) is 4-[3-(1,5-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,5-dimethylpyrazole.
What is the SMILES notation for 4-[3-(1,5-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,5-dimethylpyrazole?
The canonical SMILES for 4-[3-(1,5-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,5-dimethylpyrazole is Cc1c(-c2cc(-c3cnn(C)c3C)[nH]n2)cnn1C.
What is the InChIKey of 4-[3-(1,5-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,5-dimethylpyrazole?
The InChIKey is DKCBBDQWKKVTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6/c1-8-10(6-14-18(8)3)12-5-13(17-16-12)11-7-15-19(4)9(11)2/h5-7H,1-4H3,(H,16,17).
What are the key properties of 4-[3-(1,5-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,5-dimethylpyrazole?
4-[3-(1,5-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,5-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-(1,5-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,5-dimethylpyrazole is sourced from PubChem (CID 19588300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).