3-[2-[4,4-dimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazol-3-yl]ethyl]-4,4-dimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole

C28H42N8 — CID 139379606

IUPAC3-[2-[4,4-dimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazol-3-yl]ethyl]-4,4-dimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole
SMILESCC1=NN=C(CCC2=NN=C(CCC3=NN=C(CCC4=NN=C(C)C4(C)C)C3(C)C)C2(C)C)C1(C)C
InChIInChI=1S/C28H42N8/c1-17-25(3,4)19(31-29-17)11-13-21-27(7,8)23(35-33-21)15-16-24-28(9,10)22(34-36-24)14-12-20-26(5,6)18(2)30-32-20/h11-16H2,1-10H3
InChIKeyKZMQXQQCJIZDNS-UHFFFAOYSA-N
MW490.70 g/mol
LogP6.71
Rot. Bonds9

About 3-[2-[4,4-dimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazol-3-yl]ethyl]-4,4-dimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole

3-[2-[4,4-dimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazol-3-yl]ethyl]-4,4-dimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole (PubChem CID 139379606) has the molecular formula C28H42N8 and a molecular weight of 490.70 g/mol. Its IUPAC name is 3-[2-[4,4-dimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazol-3-yl]ethyl]-4,4-dimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole.

Molecular Properties

Compound Name3-[2-[4,4-dimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazol-3-yl]ethyl]-4,4-dimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole
PubChem CID139379606
Molecular FormulaC28H42N8
Molecular Weight490.70 g/mol
Exact Mass490.35
IUPAC Name3-[2-[4,4-dimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazol-3-yl]ethyl]-4,4-dimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole
SMILESCC1=NN=C(CCC2=NN=C(CCC3=NN=C(CCC4=NN=C(C)C4(C)C)C3(C)C)C2(C)C)C1(C)C
InChIInChI=1S/C28H42N8/c1-17-25(3,4)19(31-29-17)11-13-21-27(7,8)23(35-33-21)15-16-24-28(9,10)22(34-36-24)14-12-20-26(5,6)18(2)30-32-20/h11-16H2,1-10H3
InChIKeyKZMQXQQCJIZDNS-UHFFFAOYSA-N
XLogP6.71
TPSA98.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.70
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[2-[4,4-dimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazol-3-yl]ethyl]-4,4-dimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4,4-dimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazol-3-yl]ethyl]-4,4-dimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole?
The IUPAC name of 3-[2-[4,4-dimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazol-3-yl]ethyl]-4,4-dimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole (CID 139379606) is 3-[2-[4,4-dimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazol-3-yl]ethyl]-4,4-dimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole.
What is the SMILES notation for 3-[2-[4,4-dimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazol-3-yl]ethyl]-4,4-dimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole?
The canonical SMILES for 3-[2-[4,4-dimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazol-3-yl]ethyl]-4,4-dimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole is CC1=NN=C(CCC2=NN=C(CCC3=NN=C(CCC4=NN=C(C)C4(C)C)C3(C)C)C2(C)C)C1(C)C.
What is the InChIKey of 3-[2-[4,4-dimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazol-3-yl]ethyl]-4,4-dimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole?
The InChIKey is KZMQXQQCJIZDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42N8/c1-17-25(3,4)19(31-29-17)11-13-21-27(7,8)23(35-33-21)15-16-24-28(9,10)22(34-36-24)14-12-20-26(5,6)18(2)30-32-20/h11-16H2,1-10H3.
What are the key properties of 3-[2-[4,4-dimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazol-3-yl]ethyl]-4,4-dimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole?
3-[2-[4,4-dimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazol-3-yl]ethyl]-4,4-dimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole has a molecular weight of 490.70 g/mol, XLogP of 6.71, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4,4-dimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazol-3-yl]ethyl]-4,4-dimethyl-5-[2-(4,4,5-trimethylpyrazol-3-yl)ethyl]pyrazole is sourced from PubChem (CID 139379606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).