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

C24H21N3O2 — CID 1156697

IUPACN-benzyl-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C24H21N3O2/c1-29-21-14-12-19(13-15-21)23-22(17-27(26-23)20-10-6-3-7-11-20)24(28)25-16-18-8-4-2-5-9-18/h2-15,17H,16H2,1H3,(H,25,28)
InChIKeyVTQXVSRMTUBGHL-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.48
Rot. Bonds6

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

N-benzyl-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 1156697) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-benzyl-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID1156697
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC NameN-benzyl-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C24H21N3O2/c1-29-21-14-12-19(13-15-21)23-22(17-27(26-23)20-10-6-3-7-11-20)24(28)25-16-18-8-4-2-5-9-18/h2-15,17H,16H2,1H3,(H,25,28)
InChIKeyVTQXVSRMTUBGHL-UHFFFAOYSA-N
XLogP4.48
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-benzyl-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide (CID 1156697) is N-benzyl-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-benzyl-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-benzyl-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide is COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is VTQXVSRMTUBGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-29-21-14-12-19(13-15-21)23-22(17-27(26-23)20-10-6-3-7-11-20)24(28)25-16-18-8-4-2-5-9-18/h2-15,17H,16H2,1H3,(H,25,28).
What are the key properties of N-benzyl-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
N-benzyl-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 1156697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).