1-benzyl-3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)oxymethyl]pyrazole

C22H22N4O — CID 78427167

IUPAC1-benzyl-3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)oxymethyl]pyrazole
SMILESCc1cc(COc2cc(C)nn2-c2ccccc2)n(Cc2ccccc2)n1
InChIInChI=1S/C22H22N4O/c1-17-13-21(25(23-17)15-19-9-5-3-6-10-19)16-27-22-14-18(2)24-26(22)20-11-7-4-8-12-20/h3-14H,15-16H2,1-2H3
InChIKeyBRGLRTNWNNXNDM-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.31
Rot. Bonds6

About 1-benzyl-3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)oxymethyl]pyrazole

1-benzyl-3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)oxymethyl]pyrazole (PubChem CID 78427167) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 1-benzyl-3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)oxymethyl]pyrazole.

Molecular Properties

Compound Name1-benzyl-3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)oxymethyl]pyrazole
PubChem CID78427167
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name1-benzyl-3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)oxymethyl]pyrazole
SMILESCc1cc(COc2cc(C)nn2-c2ccccc2)n(Cc2ccccc2)n1
InChIInChI=1S/C22H22N4O/c1-17-13-21(25(23-17)15-19-9-5-3-6-10-19)16-27-22-14-18(2)24-26(22)20-11-7-4-8-12-20/h3-14H,15-16H2,1-2H3
InChIKeyBRGLRTNWNNXNDM-UHFFFAOYSA-N
XLogP4.31
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)oxymethyl]pyrazole?
The IUPAC name of 1-benzyl-3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)oxymethyl]pyrazole (CID 78427167) is 1-benzyl-3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)oxymethyl]pyrazole.
What is the SMILES notation for 1-benzyl-3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)oxymethyl]pyrazole?
The canonical SMILES for 1-benzyl-3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)oxymethyl]pyrazole is Cc1cc(COc2cc(C)nn2-c2ccccc2)n(Cc2ccccc2)n1.
What is the InChIKey of 1-benzyl-3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)oxymethyl]pyrazole?
The InChIKey is BRGLRTNWNNXNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-17-13-21(25(23-17)15-19-9-5-3-6-10-19)16-27-22-14-18(2)24-26(22)20-11-7-4-8-12-20/h3-14H,15-16H2,1-2H3.
What are the key properties of 1-benzyl-3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)oxymethyl]pyrazole?
1-benzyl-3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)oxymethyl]pyrazole has a molecular weight of 358.45 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methyl-5-[(5-methyl-2-phenylpyrazol-3-yl)oxymethyl]pyrazole is sourced from PubChem (CID 78427167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).