3-(4-methoxyphenyl)-N,1-diphenylpyrazole-4-carboxamide

C23H19N3O2 — CID 1206526

IUPAC3-(4-methoxyphenyl)-N,1-diphenylpyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C23H19N3O2/c1-28-20-14-12-17(13-15-20)22-21(23(27)24-18-8-4-2-5-9-18)16-26(25-22)19-10-6-3-7-11-19/h2-16H,1H3,(H,24,27)
InChIKeyRPLPQQABDPFLLZ-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.80
Rot. Bonds5

About 3-(4-methoxyphenyl)-N,1-diphenylpyrazole-4-carboxamide

3-(4-methoxyphenyl)-N,1-diphenylpyrazole-4-carboxamide (PubChem CID 1206526) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N,1-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N,1-diphenylpyrazole-4-carboxamide
PubChem CID1206526
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name3-(4-methoxyphenyl)-N,1-diphenylpyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C23H19N3O2/c1-28-20-14-12-17(13-15-20)22-21(23(27)24-18-8-4-2-5-9-18)16-26(25-22)19-10-6-3-7-11-19/h2-16H,1H3,(H,24,27)
InChIKeyRPLPQQABDPFLLZ-UHFFFAOYSA-N
XLogP4.80
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N,1-diphenylpyrazole-4-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-N,1-diphenylpyrazole-4-carboxamide (CID 1206526) is 3-(4-methoxyphenyl)-N,1-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N,1-diphenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N,1-diphenylpyrazole-4-carboxamide is COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccccc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N,1-diphenylpyrazole-4-carboxamide?
The InChIKey is RPLPQQABDPFLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-28-20-14-12-17(13-15-20)22-21(23(27)24-18-8-4-2-5-9-18)16-26(25-22)19-10-6-3-7-11-19/h2-16H,1H3,(H,24,27).
What are the key properties of 3-(4-methoxyphenyl)-N,1-diphenylpyrazole-4-carboxamide?
3-(4-methoxyphenyl)-N,1-diphenylpyrazole-4-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N,1-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 1206526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).