N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-4-methylaniline

C24H23N3O — CID 70690534

IUPACN-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-4-methylaniline
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2CNc2ccc(C)cc2)cc1
InChIInChI=1S/C24H23N3O/c1-18-8-12-21(13-9-18)25-16-20-17-27(22-6-4-3-5-7-22)26-24(20)19-10-14-23(28-2)15-11-19/h3-15,17,25H,16H2,1-2H3
InChIKeyZGSZMPDOCVMVPM-UHFFFAOYSA-N
MW369.47 g/mol
LogP5.47
Rot. Bonds6

About N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-4-methylaniline

N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-4-methylaniline (PubChem CID 70690534) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-4-methylaniline.

Molecular Properties

Compound NameN-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-4-methylaniline
PubChem CID70690534
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC NameN-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-4-methylaniline
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2CNc2ccc(C)cc2)cc1
InChIInChI=1S/C24H23N3O/c1-18-8-12-21(13-9-18)25-16-20-17-27(22-6-4-3-5-7-22)26-24(20)19-10-14-23(28-2)15-11-19/h3-15,17,25H,16H2,1-2H3
InChIKeyZGSZMPDOCVMVPM-UHFFFAOYSA-N
XLogP5.47
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.47
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-4-methylaniline?
The IUPAC name of N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-4-methylaniline (CID 70690534) is N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-4-methylaniline.
What is the SMILES notation for N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-4-methylaniline?
The canonical SMILES for N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-4-methylaniline is COc1ccc(-c2nn(-c3ccccc3)cc2CNc2ccc(C)cc2)cc1.
What is the InChIKey of N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-4-methylaniline?
The InChIKey is ZGSZMPDOCVMVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O/c1-18-8-12-21(13-9-18)25-16-20-17-27(22-6-4-3-5-7-22)26-24(20)19-10-14-23(28-2)15-11-19/h3-15,17,25H,16H2,1-2H3.
What are the key properties of N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-4-methylaniline?
N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-4-methylaniline has a molecular weight of 369.47 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-4-methylaniline is sourced from PubChem (CID 70690534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).