1-[[2,4,6-trimethyl-3,5-bis(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole

C21H24N6 — CID 15190541

IUPAC1-[[2,4,6-trimethyl-3,5-bis(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole
SMILESCc1c(Cn2cccn2)c(C)c(Cn2cccn2)c(C)c1Cn1cccn1
InChIInChI=1S/C21H24N6/c1-16-19(13-25-10-4-7-22-25)17(2)21(15-27-12-6-9-24-27)18(3)20(16)14-26-11-5-8-23-26/h4-12H,13-15H2,1-3H3
InChIKeyCUDJQSYCKFFLRN-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.35
Rot. Bonds6

About 1-[[2,4,6-trimethyl-3,5-bis(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole

1-[[2,4,6-trimethyl-3,5-bis(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole (PubChem CID 15190541) has the molecular formula C21H24N6 and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-[[2,4,6-trimethyl-3,5-bis(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole.

Molecular Properties

Compound Name1-[[2,4,6-trimethyl-3,5-bis(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole
PubChem CID15190541
Molecular FormulaC21H24N6
Molecular Weight360.46 g/mol
Exact Mass360.21
IUPAC Name1-[[2,4,6-trimethyl-3,5-bis(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole
SMILESCc1c(Cn2cccn2)c(C)c(Cn2cccn2)c(C)c1Cn1cccn1
InChIInChI=1S/C21H24N6/c1-16-19(13-25-10-4-7-22-25)17(2)21(15-27-12-6-9-24-27)18(3)20(16)14-26-11-5-8-23-26/h4-12H,13-15H2,1-3H3
InChIKeyCUDJQSYCKFFLRN-UHFFFAOYSA-N
XLogP3.35
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[2,4,6-trimethyl-3,5-bis(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole?
The IUPAC name of 1-[[2,4,6-trimethyl-3,5-bis(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole (CID 15190541) is 1-[[2,4,6-trimethyl-3,5-bis(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole.
What is the SMILES notation for 1-[[2,4,6-trimethyl-3,5-bis(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole?
The canonical SMILES for 1-[[2,4,6-trimethyl-3,5-bis(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole is Cc1c(Cn2cccn2)c(C)c(Cn2cccn2)c(C)c1Cn1cccn1.
What is the InChIKey of 1-[[2,4,6-trimethyl-3,5-bis(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole?
The InChIKey is CUDJQSYCKFFLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6/c1-16-19(13-25-10-4-7-22-25)17(2)21(15-27-12-6-9-24-27)18(3)20(16)14-26-11-5-8-23-26/h4-12H,13-15H2,1-3H3.
What are the key properties of 1-[[2,4,6-trimethyl-3,5-bis(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole?
1-[[2,4,6-trimethyl-3,5-bis(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole has a molecular weight of 360.46 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,4,6-trimethyl-3,5-bis(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole is sourced from PubChem (CID 15190541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).