4-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidine

C12H12N6 — CID 1376774

IUPAC4-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidine
SMILESCc1cc(C)n(-c2cc(-n3cccn3)ncn2)n1
InChIInChI=1S/C12H12N6/c1-9-6-10(2)18(16-9)12-7-11(13-8-14-12)17-5-3-4-15-17/h3-8H,1-2H3
InChIKeyBJXQLCORNQAPKL-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.46
Rot. Bonds2

About 4-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidine

4-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidine (PubChem CID 1376774) has the molecular formula C12H12N6 and a molecular weight of 240.27 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidine.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidine
PubChem CID1376774
Molecular FormulaC12H12N6
Molecular Weight240.27 g/mol
Exact Mass240.11
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidine
SMILESCc1cc(C)n(-c2cc(-n3cccn3)ncn2)n1
InChIInChI=1S/C12H12N6/c1-9-6-10(2)18(16-9)12-7-11(13-8-14-12)17-5-3-4-15-17/h3-8H,1-2H3
InChIKeyBJXQLCORNQAPKL-UHFFFAOYSA-N
XLogP1.46
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Pyrazolo(1,5-a)pyrimidine, 5,7-dimethyl-
CID 215186
Pyrazolo(1.5-a)pyrimidine, 5,7-dimethyl-3-iodo-
CID 206164
Pyrimidine, 4,6-bis(1H-pyrazol-1-yl)-
CID 3087487
2,3-dimethyl-5-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethyl)pyrazolo[1,5-a]pyrimidine
CID 75201365
6-(3,5-dimethyl-1H-pyrazol-1-yl)[1,2,4]triazolo[4,3-b]pyridazine
CID 702232
2,6-bis(3-methyl-1H-pyrazol-1-yl)pyridine
CID 850137
5-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]-N,N,1-trimethyl-1,2,4-triazol-3-amine
CID 165415449
5-[(E)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethenyl]-N,N,1-trimethyl-1,2,4-triazol-3-amine
CID 165415452
4,6-Bis(3,5-dimethyl-1H-pyrazole-1-yl)pyrimidine
CID 762995
2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-pyrimidinecarbonitrile
CID 2766549
2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 72945318
2-(3,5-dimethylpyrazol-1-yl)-N-pyrazin-2-yl-6-pyrazol-1-ylpyrimidin-4-amine
CID 72945321

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidine?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidine (CID 1376774) is 4-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidine.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidine?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidine is Cc1cc(C)n(-c2cc(-n3cccn3)ncn2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidine?
The InChIKey is BJXQLCORNQAPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6/c1-9-6-10(2)18(16-9)12-7-11(13-8-14-12)17-5-3-4-15-17/h3-8H,1-2H3.
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidine?
4-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidine has a molecular weight of 240.27 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidine is sourced from PubChem (CID 1376774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).