5-benzamido-N-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide

C24H20N4O3 — CID 1204123

IUPAC5-benzamido-N-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccccc1
InChIInChI=1S/C24H20N4O3/c1-31-21-15-9-8-14-20(21)26-24(30)19-16-25-28(18-12-6-3-7-13-18)22(19)27-23(29)17-10-4-2-5-11-17/h2-16H,1H3,(H,26,30)(H,27,29)
InChIKeyHCCRMFZIBKIWFD-UHFFFAOYSA-N
MW412.45 g/mol
LogP4.39
Rot. Bonds6

About 5-benzamido-N-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide

5-benzamido-N-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 1204123) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is 5-benzamido-N-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-benzamido-N-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID1204123
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC Name5-benzamido-N-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccccc1
InChIInChI=1S/C24H20N4O3/c1-31-21-15-9-8-14-20(21)26-24(30)19-16-25-28(18-12-6-3-7-13-18)22(19)27-23(29)17-10-4-2-5-11-17/h2-16H,1H3,(H,26,30)(H,27,29)
InChIKeyHCCRMFZIBKIWFD-UHFFFAOYSA-N
XLogP4.39
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-benzamido-N-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-benzamido-N-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide (CID 1204123) is 5-benzamido-N-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-benzamido-N-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-benzamido-N-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide is COc1ccccc1NC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccccc1.
What is the InChIKey of 5-benzamido-N-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is HCCRMFZIBKIWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3/c1-31-21-15-9-8-14-20(21)26-24(30)19-16-25-28(18-12-6-3-7-13-18)22(19)27-23(29)17-10-4-2-5-11-17/h2-16H,1H3,(H,26,30)(H,27,29).
What are the key properties of 5-benzamido-N-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
5-benzamido-N-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 412.45 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzamido-N-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 1204123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).