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

C24H30N6 — CID 91461332

IUPAC1-[[2,4,6-triethyl-3,5-bis(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole
SMILESCCc1c(Cn2cccn2)c(CC)c(Cn2cccn2)c(CC)c1Cn1cccn1
InChIInChI=1S/C24H30N6/c1-4-19-22(16-28-13-7-10-25-28)20(5-2)24(18-30-15-9-12-27-30)21(6-3)23(19)17-29-14-8-11-26-29/h7-15H,4-6,16-18H2,1-3H3
InChIKeyUYNPEZYHWRLADB-UHFFFAOYSA-N
MW402.55 g/mol
LogP4.11
Rot. Bonds9

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

1-[[2,4,6-triethyl-3,5-bis(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole (PubChem CID 91461332) has the molecular formula C24H30N6 and a molecular weight of 402.55 g/mol. Its IUPAC name is 1-[[2,4,6-triethyl-3,5-bis(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole.

Molecular Properties

Compound Name1-[[2,4,6-triethyl-3,5-bis(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole
PubChem CID91461332
Molecular FormulaC24H30N6
Molecular Weight402.55 g/mol
Exact Mass402.25
IUPAC Name1-[[2,4,6-triethyl-3,5-bis(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole
SMILESCCc1c(Cn2cccn2)c(CC)c(Cn2cccn2)c(CC)c1Cn1cccn1
InChIInChI=1S/C24H30N6/c1-4-19-22(16-28-13-7-10-25-28)20(5-2)24(18-30-15-9-12-27-30)21(6-3)23(19)17-29-14-8-11-26-29/h7-15H,4-6,16-18H2,1-3H3
InChIKeyUYNPEZYHWRLADB-UHFFFAOYSA-N
XLogP4.11
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.55
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[2,3,4,5,6-pentakis(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole
CID 15190545
1-[[1,3,4,5,6,7,8-heptakis(pyrazol-1-ylmethyl)biphenylen-2-yl]methyl]pyrazole
CID 139060151
1-[(2,6-dimethylphenyl)methyl]pyrazole
CID 79032553
1-[(4-ethylphenyl)methyl]pyrazole
CID 63811734
4-ethyl-2-(pyrazol-1-ylmethyl)-1,3-thiazole
CID 130619188
1-ethylpyrazole;propane
CID 142296683
2-methyl-4-(pyrazol-1-ylmethyl)triazole
CID 130588297
3,4-dimethoxy-2-(pyrazol-1-ylmethyl)pyridine
CID 103174085
2,6-bis(pyrazol-1-ylmethyl)pyridine
CID 12975814
[4-(pyrazol-1-ylmethyl)phenyl]methanol
CID 16640562
1-(2,3-dihydro-1,4-dioxin-5-ylmethyl)pyrazole
CID 175920419
4-(pyrazol-1-ylmethyl)-2H-triazole
CID 154029465

Frequently Asked Questions

What is the IUPAC name of 1-[[2,4,6-triethyl-3,5-bis(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole?
The IUPAC name of 1-[[2,4,6-triethyl-3,5-bis(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole (CID 91461332) is 1-[[2,4,6-triethyl-3,5-bis(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole.
What is the SMILES notation for 1-[[2,4,6-triethyl-3,5-bis(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole?
The canonical SMILES for 1-[[2,4,6-triethyl-3,5-bis(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole is CCc1c(Cn2cccn2)c(CC)c(Cn2cccn2)c(CC)c1Cn1cccn1.
What is the InChIKey of 1-[[2,4,6-triethyl-3,5-bis(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole?
The InChIKey is UYNPEZYHWRLADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6/c1-4-19-22(16-28-13-7-10-25-28)20(5-2)24(18-30-15-9-12-27-30)21(6-3)23(19)17-29-14-8-11-26-29/h7-15H,4-6,16-18H2,1-3H3.
What are the key properties of 1-[[2,4,6-triethyl-3,5-bis(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole?
1-[[2,4,6-triethyl-3,5-bis(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole has a molecular weight of 402.55 g/mol, XLogP of 4.11, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,4,6-triethyl-3,5-bis(pyrazol-1-ylmethyl)phenyl]methyl]pyrazole is sourced from PubChem (CID 91461332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).