1-[(3-methylphenyl)methyl]-4-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole

C22H22N4 — CID 47012659

IUPAC1-[(3-methylphenyl)methyl]-4-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole
SMILESCc1cccc(Cn2cc(-c3cnn(Cc4cccc(C)c4)c3)cn2)c1
InChIInChI=1S/C22H22N4/c1-17-5-3-7-19(9-17)13-25-15-21(11-23-25)22-12-24-26(16-22)14-20-8-4-6-18(2)10-20/h3-12,15-16H,13-14H2,1-2H3
InChIKeyRBYMPKKAHKFXEO-UHFFFAOYSA-N
MW342.45 g/mol
LogP4.46
Rot. Bonds5

About 1-[(3-methylphenyl)methyl]-4-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole

1-[(3-methylphenyl)methyl]-4-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole (PubChem CID 47012659) has the molecular formula C22H22N4 and a molecular weight of 342.45 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl]-4-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl]-4-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole
PubChem CID47012659
Molecular FormulaC22H22N4
Molecular Weight342.45 g/mol
Exact Mass342.18
IUPAC Name1-[(3-methylphenyl)methyl]-4-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole
SMILESCc1cccc(Cn2cc(-c3cnn(Cc4cccc(C)c4)c3)cn2)c1
InChIInChI=1S/C22H22N4/c1-17-5-3-7-19(9-17)13-25-15-21(11-23-25)22-12-24-26(16-22)14-20-8-4-6-18(2)10-20/h3-12,15-16H,13-14H2,1-2H3
InChIKeyRBYMPKKAHKFXEO-UHFFFAOYSA-N
XLogP4.46
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methyl]-4-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole?
The IUPAC name of 1-[(3-methylphenyl)methyl]-4-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole (CID 47012659) is 1-[(3-methylphenyl)methyl]-4-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole.
What is the SMILES notation for 1-[(3-methylphenyl)methyl]-4-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole?
The canonical SMILES for 1-[(3-methylphenyl)methyl]-4-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole is Cc1cccc(Cn2cc(-c3cnn(Cc4cccc(C)c4)c3)cn2)c1.
What is the InChIKey of 1-[(3-methylphenyl)methyl]-4-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole?
The InChIKey is RBYMPKKAHKFXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4/c1-17-5-3-7-19(9-17)13-25-15-21(11-23-25)22-12-24-26(16-22)14-20-8-4-6-18(2)10-20/h3-12,15-16H,13-14H2,1-2H3.
What are the key properties of 1-[(3-methylphenyl)methyl]-4-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole?
1-[(3-methylphenyl)methyl]-4-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole has a molecular weight of 342.45 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methyl]-4-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole is sourced from PubChem (CID 47012659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).