bis(1-methyl-3-propan-2-ylpyrazole);1-methyl-4-propan-2-ylpyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole

C41H65N11S — CID 157462182

IUPACbis(1-methyl-3-propan-2-ylpyrazole);1-methyl-4-propan-2-ylpyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1cccnn1.CC(C)c1ccn(C)n1.CC(C)c1ccn(C)n1.CC(C)c1cnn(C)c1.CC(C)c1ncccn1.CC(C)c1nccs1
InChIInChI=1S/3C7H12N2.2C7H10N2.C6H9NS/c1-6(2)7-4-8-9(3)5-7;2*1-6(2)7-4-5-9(3)8-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;1-5(2)6-7-3-4-8-6/h3*4-6H,1-3H3;2*3-6H,1-2H3;3-5H,1-2H3
InChIKeyBUAZLIKULDDPQB-UHFFFAOYSA-N
MW744.12 g/mol
LogP10.10
Rot. Bonds6

About bis(1-methyl-3-propan-2-ylpyrazole);1-methyl-4-propan-2-ylpyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole

bis(1-methyl-3-propan-2-ylpyrazole);1-methyl-4-propan-2-ylpyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole (PubChem CID 157462182) has the molecular formula C41H65N11S and a molecular weight of 744.12 g/mol. Its IUPAC name is bis(1-methyl-3-propan-2-ylpyrazole);1-methyl-4-propan-2-ylpyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Namebis(1-methyl-3-propan-2-ylpyrazole);1-methyl-4-propan-2-ylpyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole
PubChem CID157462182
Molecular FormulaC41H65N11S
Molecular Weight744.12 g/mol
Exact Mass743.51
IUPAC Namebis(1-methyl-3-propan-2-ylpyrazole);1-methyl-4-propan-2-ylpyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1cccnn1.CC(C)c1ccn(C)n1.CC(C)c1ccn(C)n1.CC(C)c1cnn(C)c1.CC(C)c1ncccn1.CC(C)c1nccs1
InChIInChI=1S/3C7H12N2.2C7H10N2.C6H9NS/c1-6(2)7-4-8-9(3)5-7;2*1-6(2)7-4-5-9(3)8-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;1-5(2)6-7-3-4-8-6/h3*4-6H,1-3H3;2*3-6H,1-2H3;3-5H,1-2H3
InChIKeyBUAZLIKULDDPQB-UHFFFAOYSA-N
XLogP10.10
TPSA117.91 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500744.12
LogP ≤ 510.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze bis(1-methyl-3-propan-2-ylpyrazole);1-methyl-4-propan-2-ylpyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole with MolForge

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Launch Full Analysis

Related Compounds

3-[[5-(1-Methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine
CID 53262678
2-[1-[1-(2-Methyl-4-pyrazol-1-ylphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole
CID 44589205
N,N,6-trimethyl-5-[4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]pyridin-2-amine
CID 44589329
N-(3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl)thiazol-2-amine
CID 53321968
2-[7-[[2-(3-Fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1,3-thiazole
CID 11293063
5-Methylsulfanyl-4-[4-(5-propyl-1-pyridin-2-ylpyrazol-4-yl)-1,3-thiazol-2-yl]thiophene-2-carboximidamide
CID 10003390
US11186582, Example 147
CID 118472545
US11186582, Example 109
CID 118472600
6-(1-Methylethyl)-4-[3-(2-thienyl)-1H-pyrazol-1-yl]thieno[2,3-d]pyrimidine
CID 44590971
2-[1-[(2-Fluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]-1,3-thiazole
CID 56598663
2-[1-[(2-Fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)pyrazol-3-yl]pyrimidin-4-amine
CID 68642374
2-[1-[(2-Fluorophenyl)methyl]-3-pyrimidin-2-ylpyrazol-5-yl]-4-methyl-1,3-thiazole
CID 68643406

Frequently Asked Questions

What is the IUPAC name of bis(1-methyl-3-propan-2-ylpyrazole);1-methyl-4-propan-2-ylpyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole?
The IUPAC name of bis(1-methyl-3-propan-2-ylpyrazole);1-methyl-4-propan-2-ylpyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole (CID 157462182) is bis(1-methyl-3-propan-2-ylpyrazole);1-methyl-4-propan-2-ylpyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for bis(1-methyl-3-propan-2-ylpyrazole);1-methyl-4-propan-2-ylpyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole?
The canonical SMILES for bis(1-methyl-3-propan-2-ylpyrazole);1-methyl-4-propan-2-ylpyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole is CC(C)c1cccnn1.CC(C)c1ccn(C)n1.CC(C)c1ccn(C)n1.CC(C)c1cnn(C)c1.CC(C)c1ncccn1.CC(C)c1nccs1.
What is the InChIKey of bis(1-methyl-3-propan-2-ylpyrazole);1-methyl-4-propan-2-ylpyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole?
The InChIKey is BUAZLIKULDDPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H12N2.2C7H10N2.C6H9NS/c1-6(2)7-4-8-9(3)5-7;2*1-6(2)7-4-5-9(3)8-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;1-5(2)6-7-3-4-8-6/h3*4-6H,1-3H3;2*3-6H,1-2H3;3-5H,1-2H3.
What are the key properties of bis(1-methyl-3-propan-2-ylpyrazole);1-methyl-4-propan-2-ylpyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole?
bis(1-methyl-3-propan-2-ylpyrazole);1-methyl-4-propan-2-ylpyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole has a molecular weight of 744.12 g/mol, XLogP of 10.10, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-methyl-3-propan-2-ylpyrazole);1-methyl-4-propan-2-ylpyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 157462182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).