1-[[3,5-bis[(3,5-dimethylpyrazol-1-yl)methyl]-2,4,6-trimethylphenyl]methyl]-3,5-dimethylpyrazole

C27H36N6 — CID 15190542

IUPAC1-[[3,5-bis[(3,5-dimethylpyrazol-1-yl)methyl]-2,4,6-trimethylphenyl]methyl]-3,5-dimethylpyrazole
SMILESCc1cc(C)n(Cc2c(C)c(Cn3nc(C)cc3C)c(C)c(Cn3nc(C)cc3C)c2C)n1
InChIInChI=1S/C27H36N6/c1-16-10-19(4)31(28-16)13-25-22(7)26(14-32-20(5)11-17(2)29-32)24(9)27(23(25)8)15-33-21(6)12-18(3)30-33/h10-12H,13-15H2,1-9H3
InChIKeyYAQLFHHVAAOUHI-UHFFFAOYSA-N
MW444.63 g/mol
LogP5.20
Rot. Bonds6

About 1-[[3,5-bis[(3,5-dimethylpyrazol-1-yl)methyl]-2,4,6-trimethylphenyl]methyl]-3,5-dimethylpyrazole

1-[[3,5-bis[(3,5-dimethylpyrazol-1-yl)methyl]-2,4,6-trimethylphenyl]methyl]-3,5-dimethylpyrazole (PubChem CID 15190542) has the molecular formula C27H36N6 and a molecular weight of 444.63 g/mol. Its IUPAC name is 1-[[3,5-bis[(3,5-dimethylpyrazol-1-yl)methyl]-2,4,6-trimethylphenyl]methyl]-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-[[3,5-bis[(3,5-dimethylpyrazol-1-yl)methyl]-2,4,6-trimethylphenyl]methyl]-3,5-dimethylpyrazole
PubChem CID15190542
Molecular FormulaC27H36N6
Molecular Weight444.63 g/mol
Exact Mass444.30
IUPAC Name1-[[3,5-bis[(3,5-dimethylpyrazol-1-yl)methyl]-2,4,6-trimethylphenyl]methyl]-3,5-dimethylpyrazole
SMILESCc1cc(C)n(Cc2c(C)c(Cn3nc(C)cc3C)c(C)c(Cn3nc(C)cc3C)c2C)n1
InChIInChI=1S/C27H36N6/c1-16-10-19(4)31(28-16)13-25-22(7)26(14-32-20(5)11-17(2)29-32)24(9)27(23(25)8)15-33-21(6)12-18(3)30-33/h10-12H,13-15H2,1-9H3
InChIKeyYAQLFHHVAAOUHI-UHFFFAOYSA-N
XLogP5.20
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.63
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[[3,5-bis[(3,5-dimethylpyrazol-1-yl)methyl]-2,4,6-trimethylphenyl]methyl]-3,5-dimethylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[3,5-bis[(3,5-dimethylpyrazol-1-yl)methyl]-2,4,6-trimethylphenyl]methyl]-3,5-dimethylpyrazole?
The IUPAC name of 1-[[3,5-bis[(3,5-dimethylpyrazol-1-yl)methyl]-2,4,6-trimethylphenyl]methyl]-3,5-dimethylpyrazole (CID 15190542) is 1-[[3,5-bis[(3,5-dimethylpyrazol-1-yl)methyl]-2,4,6-trimethylphenyl]methyl]-3,5-dimethylpyrazole.
What is the SMILES notation for 1-[[3,5-bis[(3,5-dimethylpyrazol-1-yl)methyl]-2,4,6-trimethylphenyl]methyl]-3,5-dimethylpyrazole?
The canonical SMILES for 1-[[3,5-bis[(3,5-dimethylpyrazol-1-yl)methyl]-2,4,6-trimethylphenyl]methyl]-3,5-dimethylpyrazole is Cc1cc(C)n(Cc2c(C)c(Cn3nc(C)cc3C)c(C)c(Cn3nc(C)cc3C)c2C)n1.
What is the InChIKey of 1-[[3,5-bis[(3,5-dimethylpyrazol-1-yl)methyl]-2,4,6-trimethylphenyl]methyl]-3,5-dimethylpyrazole?
The InChIKey is YAQLFHHVAAOUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N6/c1-16-10-19(4)31(28-16)13-25-22(7)26(14-32-20(5)11-17(2)29-32)24(9)27(23(25)8)15-33-21(6)12-18(3)30-33/h10-12H,13-15H2,1-9H3.
What are the key properties of 1-[[3,5-bis[(3,5-dimethylpyrazol-1-yl)methyl]-2,4,6-trimethylphenyl]methyl]-3,5-dimethylpyrazole?
1-[[3,5-bis[(3,5-dimethylpyrazol-1-yl)methyl]-2,4,6-trimethylphenyl]methyl]-3,5-dimethylpyrazole has a molecular weight of 444.63 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3,5-bis[(3,5-dimethylpyrazol-1-yl)methyl]-2,4,6-trimethylphenyl]methyl]-3,5-dimethylpyrazole is sourced from PubChem (CID 15190542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).