1-(4-methoxyphenyl)-N,3-diphenylpyrazol-5-amine

C22H19N3O — CID 102581194

IUPAC1-(4-methoxyphenyl)-N,3-diphenylpyrazol-5-amine
SMILESCOc1ccc(-n2nc(-c3ccccc3)cc2Nc2ccccc2)cc1
InChIInChI=1S/C22H19N3O/c1-26-20-14-12-19(13-15-20)25-22(23-18-10-6-3-7-11-18)16-21(24-25)17-8-4-2-5-9-17/h2-16,23H,1H3
InChIKeyIMKPDOZNADXYME-UHFFFAOYSA-N
MW341.41 g/mol
LogP5.29
Rot. Bonds5

About 1-(4-methoxyphenyl)-N,3-diphenylpyrazol-5-amine

1-(4-methoxyphenyl)-N,3-diphenylpyrazol-5-amine (PubChem CID 102581194) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N,3-diphenylpyrazol-5-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N,3-diphenylpyrazol-5-amine
PubChem CID102581194
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Name1-(4-methoxyphenyl)-N,3-diphenylpyrazol-5-amine
SMILESCOc1ccc(-n2nc(-c3ccccc3)cc2Nc2ccccc2)cc1
InChIInChI=1S/C22H19N3O/c1-26-20-14-12-19(13-15-20)25-22(23-18-10-6-3-7-11-18)16-21(24-25)17-8-4-2-5-9-17/h2-16,23H,1H3
InChIKeyIMKPDOZNADXYME-UHFFFAOYSA-N
XLogP5.29
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromophenyl)-3-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]urea
CID 1052133
1-benzyl-3-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]urea
CID 42732916
N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-3-methylsulfanylpropanamide
CID 46087824
1-methyl-N,3-diphenylpyrazol-5-amine
CID 10610632
N-(4-methoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide
CID 7900022
N-ethyl-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-methylpropanamide
CID 42731978
3,5-dichloro-N-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]benzamide
CID 46088105
[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl] 4-methoxybenzoate
CID 1061728
N-ethyl-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-4-methylbenzamide
CID 1062173
2-[benzylcarbamoyl(ethyl)amino]-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]acetamide
CID 42658160
N-(2-fluorophenyl)-1-(4-methoxyphenyl)-3-phenylpyrazole-5-carboxamide
CID 42754604
[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-pyrrolidin-1-ylmethanone
CID 812015

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N,3-diphenylpyrazol-5-amine?
The IUPAC name of 1-(4-methoxyphenyl)-N,3-diphenylpyrazol-5-amine (CID 102581194) is 1-(4-methoxyphenyl)-N,3-diphenylpyrazol-5-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N,3-diphenylpyrazol-5-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-N,3-diphenylpyrazol-5-amine is COc1ccc(-n2nc(-c3ccccc3)cc2Nc2ccccc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N,3-diphenylpyrazol-5-amine?
The InChIKey is IMKPDOZNADXYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c1-26-20-14-12-19(13-15-20)25-22(23-18-10-6-3-7-11-18)16-21(24-25)17-8-4-2-5-9-17/h2-16,23H,1H3.
What are the key properties of 1-(4-methoxyphenyl)-N,3-diphenylpyrazol-5-amine?
1-(4-methoxyphenyl)-N,3-diphenylpyrazol-5-amine has a molecular weight of 341.41 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N,3-diphenylpyrazol-5-amine is sourced from PubChem (CID 102581194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).