[5-[(4-methoxyphenyl)methylamino]-3-phenylpyrazol-1-yl]-phenylmethanone

C24H21N3O2 — CID 67450721

IUPAC[5-[(4-methoxyphenyl)methylamino]-3-phenylpyrazol-1-yl]-phenylmethanone
SMILESCOc1ccc(CNc2cc(-c3ccccc3)nn2C(=O)c2ccccc2)cc1
InChIInChI=1S/C24H21N3O2/c1-29-21-14-12-18(13-15-21)17-25-23-16-22(19-8-4-2-5-9-19)26-27(23)24(28)20-10-6-3-7-11-20/h2-16,25H,17H2,1H3
InChIKeyAKBBZROTVMXILH-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.86
Rot. Bonds6

About [5-[(4-methoxyphenyl)methylamino]-3-phenylpyrazol-1-yl]-phenylmethanone

[5-[(4-methoxyphenyl)methylamino]-3-phenylpyrazol-1-yl]-phenylmethanone (PubChem CID 67450721) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is [5-[(4-methoxyphenyl)methylamino]-3-phenylpyrazol-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-[(4-methoxyphenyl)methylamino]-3-phenylpyrazol-1-yl]-phenylmethanone
PubChem CID67450721
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name[5-[(4-methoxyphenyl)methylamino]-3-phenylpyrazol-1-yl]-phenylmethanone
SMILESCOc1ccc(CNc2cc(-c3ccccc3)nn2C(=O)c2ccccc2)cc1
InChIInChI=1S/C24H21N3O2/c1-29-21-14-12-18(13-15-21)17-25-23-16-22(19-8-4-2-5-9-19)26-27(23)24(28)20-10-6-3-7-11-20/h2-16,25H,17H2,1H3
InChIKeyAKBBZROTVMXILH-UHFFFAOYSA-N
XLogP4.86
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[(4-methoxyphenyl)methylamino]-3-phenylpyrazol-1-yl]ethanol
CID 110924499
(4-fluorophenyl)-[5-[(4-methoxyphenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]methanone
CID 1294985
1-benzyl-3-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]urea
CID 42732916
(2-chlorophenyl)-[5-[(4-methoxyphenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]methanone
CID 22332241
[5-(benzylamino)-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-(4-tert-butylphenyl)methanone
CID 4041763
[3,5-bis(4-methoxyanilino)pyrazol-1-yl]-phenylmethanone
CID 121238403
1-[5-(benzylamino)-3-pyridin-3-ylpyrazol-1-yl]ethanone
CID 67454284
(4-methoxyphenyl)-(4-phenyltriazol-2-yl)methanone
CID 134126257
[5-(benzylamino)-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-(4-nitrophenyl)methanone
CID 2972630
[3-(furan-2-yl)-5-[(4-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]-(4-methoxyphenyl)methanone
CID 3881211
(2-methoxyphenyl)-[3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]methanone
CID 4029846
1-[5-(benzylamino)-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-2-methoxyethanone
CID 5137673

Frequently Asked Questions

What is the IUPAC name of [5-[(4-methoxyphenyl)methylamino]-3-phenylpyrazol-1-yl]-phenylmethanone?
The IUPAC name of [5-[(4-methoxyphenyl)methylamino]-3-phenylpyrazol-1-yl]-phenylmethanone (CID 67450721) is [5-[(4-methoxyphenyl)methylamino]-3-phenylpyrazol-1-yl]-phenylmethanone.
What is the SMILES notation for [5-[(4-methoxyphenyl)methylamino]-3-phenylpyrazol-1-yl]-phenylmethanone?
The canonical SMILES for [5-[(4-methoxyphenyl)methylamino]-3-phenylpyrazol-1-yl]-phenylmethanone is COc1ccc(CNc2cc(-c3ccccc3)nn2C(=O)c2ccccc2)cc1.
What is the InChIKey of [5-[(4-methoxyphenyl)methylamino]-3-phenylpyrazol-1-yl]-phenylmethanone?
The InChIKey is AKBBZROTVMXILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-29-21-14-12-18(13-15-21)17-25-23-16-22(19-8-4-2-5-9-19)26-27(23)24(28)20-10-6-3-7-11-20/h2-16,25H,17H2,1H3.
What are the key properties of [5-[(4-methoxyphenyl)methylamino]-3-phenylpyrazol-1-yl]-phenylmethanone?
[5-[(4-methoxyphenyl)methylamino]-3-phenylpyrazol-1-yl]-phenylmethanone has a molecular weight of 383.45 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-methoxyphenyl)methylamino]-3-phenylpyrazol-1-yl]-phenylmethanone is sourced from PubChem (CID 67450721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).