N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide

C24H21N3O3 — CID 2339155

IUPACN-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccccc2OC)cc1
InChIInChI=1S/C24H21N3O3/c1-29-19-14-12-17(13-15-19)23-20(16-27(26-23)18-8-4-3-5-9-18)24(28)25-21-10-6-7-11-22(21)30-2/h3-16H,1-2H3,(H,25,28)
InChIKeyQRJGMWXMCDTDMS-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.81
Rot. Bonds6

About N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide

N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 2339155) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID2339155
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC NameN-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccccc2OC)cc1
InChIInChI=1S/C24H21N3O3/c1-29-19-14-12-17(13-15-19)23-20(16-27(26-23)18-8-4-3-5-9-18)24(28)25-21-10-6-7-11-22(21)30-2/h3-16H,1-2H3,(H,25,28)
InChIKeyQRJGMWXMCDTDMS-UHFFFAOYSA-N
XLogP4.81
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide (CID 2339155) is N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide is COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccccc2OC)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is QRJGMWXMCDTDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-29-19-14-12-17(13-15-19)23-20(16-27(26-23)18-8-4-3-5-9-18)24(28)25-21-10-6-7-11-22(21)30-2/h3-16H,1-2H3,(H,25,28).
What are the key properties of N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 2339155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).