5-(2,4,6-trimethylphenyl)-N-[[3-(2,4,6-trimethylphenyl)-1H-pyrazol-5-yl]methyl]-1H-pyrazol-3-amine

C25H29N5 — CID 102140573

IUPAC5-(2,4,6-trimethylphenyl)-N-[[3-(2,4,6-trimethylphenyl)-1H-pyrazol-5-yl]methyl]-1H-pyrazol-3-amine
SMILESCc1cc(C)c(-c2cc(CNc3cc(-c4c(C)cc(C)cc4C)[nH]n3)[nH]n2)c(C)c1
InChIInChI=1S/C25H29N5/c1-14-7-16(3)24(17(4)8-14)21-11-20(27-28-21)13-26-23-12-22(29-30-23)25-18(5)9-15(2)10-19(25)6/h7-12H,13H2,1-6H3,(H,27,28)(H2,26,29,30)
InChIKeyAYVYKCFJCZENCB-UHFFFAOYSA-N
MW399.54 g/mol
LogP5.93
Rot. Bonds5

About 5-(2,4,6-trimethylphenyl)-N-[[3-(2,4,6-trimethylphenyl)-1H-pyrazol-5-yl]methyl]-1H-pyrazol-3-amine

5-(2,4,6-trimethylphenyl)-N-[[3-(2,4,6-trimethylphenyl)-1H-pyrazol-5-yl]methyl]-1H-pyrazol-3-amine (PubChem CID 102140573) has the molecular formula C25H29N5 and a molecular weight of 399.54 g/mol. Its IUPAC name is 5-(2,4,6-trimethylphenyl)-N-[[3-(2,4,6-trimethylphenyl)-1H-pyrazol-5-yl]methyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2,4,6-trimethylphenyl)-N-[[3-(2,4,6-trimethylphenyl)-1H-pyrazol-5-yl]methyl]-1H-pyrazol-3-amine
PubChem CID102140573
Molecular FormulaC25H29N5
Molecular Weight399.54 g/mol
Exact Mass399.24
IUPAC Name5-(2,4,6-trimethylphenyl)-N-[[3-(2,4,6-trimethylphenyl)-1H-pyrazol-5-yl]methyl]-1H-pyrazol-3-amine
SMILESCc1cc(C)c(-c2cc(CNc3cc(-c4c(C)cc(C)cc4C)[nH]n3)[nH]n2)c(C)c1
InChIInChI=1S/C25H29N5/c1-14-7-16(3)24(17(4)8-14)21-11-20(27-28-21)13-26-23-12-22(29-30-23)25-18(5)9-15(2)10-19(25)6/h7-12H,13H2,1-6H3,(H,27,28)(H2,26,29,30)
InChIKeyAYVYKCFJCZENCB-UHFFFAOYSA-N
XLogP5.93
TPSA69.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.54
LogP ≤ 55.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4,6-trimethylphenyl)-N-[[3-(2,4,6-trimethylphenyl)-1H-pyrazol-5-yl]methyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-(2,4,6-trimethylphenyl)-N-[[3-(2,4,6-trimethylphenyl)-1H-pyrazol-5-yl]methyl]-1H-pyrazol-3-amine (CID 102140573) is 5-(2,4,6-trimethylphenyl)-N-[[3-(2,4,6-trimethylphenyl)-1H-pyrazol-5-yl]methyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2,4,6-trimethylphenyl)-N-[[3-(2,4,6-trimethylphenyl)-1H-pyrazol-5-yl]methyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2,4,6-trimethylphenyl)-N-[[3-(2,4,6-trimethylphenyl)-1H-pyrazol-5-yl]methyl]-1H-pyrazol-3-amine is Cc1cc(C)c(-c2cc(CNc3cc(-c4c(C)cc(C)cc4C)[nH]n3)[nH]n2)c(C)c1.
What is the InChIKey of 5-(2,4,6-trimethylphenyl)-N-[[3-(2,4,6-trimethylphenyl)-1H-pyrazol-5-yl]methyl]-1H-pyrazol-3-amine?
The InChIKey is AYVYKCFJCZENCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5/c1-14-7-16(3)24(17(4)8-14)21-11-20(27-28-21)13-26-23-12-22(29-30-23)25-18(5)9-15(2)10-19(25)6/h7-12H,13H2,1-6H3,(H,27,28)(H2,26,29,30).
What are the key properties of 5-(2,4,6-trimethylphenyl)-N-[[3-(2,4,6-trimethylphenyl)-1H-pyrazol-5-yl]methyl]-1H-pyrazol-3-amine?
5-(2,4,6-trimethylphenyl)-N-[[3-(2,4,6-trimethylphenyl)-1H-pyrazol-5-yl]methyl]-1H-pyrazol-3-amine has a molecular weight of 399.54 g/mol, XLogP of 5.93, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4,6-trimethylphenyl)-N-[[3-(2,4,6-trimethylphenyl)-1H-pyrazol-5-yl]methyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 102140573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).