1-[(2-ethoxyphenyl)methyl]-4-[1-[(2-ethoxyphenyl)methyl]pyrazol-4-yl]pyrazole

C24H26N4O2 — CID 47012656

IUPAC1-[(2-ethoxyphenyl)methyl]-4-[1-[(2-ethoxyphenyl)methyl]pyrazol-4-yl]pyrazole
SMILESCCOc1ccccc1Cn1cc(-c2cnn(Cc3ccccc3OCC)c2)cn1
InChIInChI=1S/C24H26N4O2/c1-3-29-23-11-7-5-9-19(23)15-27-17-21(13-25-27)22-14-26-28(18-22)16-20-10-6-8-12-24(20)30-4-2/h5-14,17-18H,3-4,15-16H2,1-2H3
InChIKeyPJEWEPJZLLYDSP-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.64
Rot. Bonds9

About 1-[(2-ethoxyphenyl)methyl]-4-[1-[(2-ethoxyphenyl)methyl]pyrazol-4-yl]pyrazole

1-[(2-ethoxyphenyl)methyl]-4-[1-[(2-ethoxyphenyl)methyl]pyrazol-4-yl]pyrazole (PubChem CID 47012656) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 1-[(2-ethoxyphenyl)methyl]-4-[1-[(2-ethoxyphenyl)methyl]pyrazol-4-yl]pyrazole.

Molecular Properties

Compound Name1-[(2-ethoxyphenyl)methyl]-4-[1-[(2-ethoxyphenyl)methyl]pyrazol-4-yl]pyrazole
PubChem CID47012656
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name1-[(2-ethoxyphenyl)methyl]-4-[1-[(2-ethoxyphenyl)methyl]pyrazol-4-yl]pyrazole
SMILESCCOc1ccccc1Cn1cc(-c2cnn(Cc3ccccc3OCC)c2)cn1
InChIInChI=1S/C24H26N4O2/c1-3-29-23-11-7-5-9-19(23)15-27-17-21(13-25-27)22-14-26-28(18-22)16-20-10-6-8-12-24(20)30-4-2/h5-14,17-18H,3-4,15-16H2,1-2H3
InChIKeyPJEWEPJZLLYDSP-UHFFFAOYSA-N
XLogP4.64
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethoxyphenyl)methyl]-4-[1-[(2-ethoxyphenyl)methyl]pyrazol-4-yl]pyrazole?
The IUPAC name of 1-[(2-ethoxyphenyl)methyl]-4-[1-[(2-ethoxyphenyl)methyl]pyrazol-4-yl]pyrazole (CID 47012656) is 1-[(2-ethoxyphenyl)methyl]-4-[1-[(2-ethoxyphenyl)methyl]pyrazol-4-yl]pyrazole.
What is the SMILES notation for 1-[(2-ethoxyphenyl)methyl]-4-[1-[(2-ethoxyphenyl)methyl]pyrazol-4-yl]pyrazole?
The canonical SMILES for 1-[(2-ethoxyphenyl)methyl]-4-[1-[(2-ethoxyphenyl)methyl]pyrazol-4-yl]pyrazole is CCOc1ccccc1Cn1cc(-c2cnn(Cc3ccccc3OCC)c2)cn1.
What is the InChIKey of 1-[(2-ethoxyphenyl)methyl]-4-[1-[(2-ethoxyphenyl)methyl]pyrazol-4-yl]pyrazole?
The InChIKey is PJEWEPJZLLYDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-3-29-23-11-7-5-9-19(23)15-27-17-21(13-25-27)22-14-26-28(18-22)16-20-10-6-8-12-24(20)30-4-2/h5-14,17-18H,3-4,15-16H2,1-2H3.
What are the key properties of 1-[(2-ethoxyphenyl)methyl]-4-[1-[(2-ethoxyphenyl)methyl]pyrazol-4-yl]pyrazole?
1-[(2-ethoxyphenyl)methyl]-4-[1-[(2-ethoxyphenyl)methyl]pyrazol-4-yl]pyrazole has a molecular weight of 402.50 g/mol, XLogP of 4.64, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethoxyphenyl)methyl]-4-[1-[(2-ethoxyphenyl)methyl]pyrazol-4-yl]pyrazole is sourced from PubChem (CID 47012656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).