N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-methoxyphenyl)acetamide

C24H21FN4O2 — CID 18674002

IUPACN-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2c(-c3ccncc3)c(-c3ccc(F)cc3)nn2C)cc1
InChIInChI=1S/C24H21FN4O2/c1-29-24(27-21(30)15-16-3-9-20(31-2)10-4-16)22(17-11-13-26-14-12-17)23(28-29)18-5-7-19(25)8-6-18/h3-14H,15H2,1-2H3,(H,27,30)
InChIKeyMQEDNCROSLPRIT-UHFFFAOYSA-N
MW416.46 g/mol
LogP4.48
Rot. Bonds6

About N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-methoxyphenyl)acetamide

N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-methoxyphenyl)acetamide (PubChem CID 18674002) has the molecular formula C24H21FN4O2 and a molecular weight of 416.46 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-methoxyphenyl)acetamide
PubChem CID18674002
Molecular FormulaC24H21FN4O2
Molecular Weight416.46 g/mol
Exact Mass416.16
IUPAC NameN-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2c(-c3ccncc3)c(-c3ccc(F)cc3)nn2C)cc1
InChIInChI=1S/C24H21FN4O2/c1-29-24(27-21(30)15-16-3-9-20(31-2)10-4-16)22(17-11-13-26-14-12-17)23(28-29)18-5-7-19(25)8-6-18/h3-14H,15H2,1-2H3,(H,27,30)
InChIKeyMQEDNCROSLPRIT-UHFFFAOYSA-N
XLogP4.48
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-methoxyphenyl)acetamide (CID 18674002) is N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2c(-c3ccncc3)c(-c3ccc(F)cc3)nn2C)cc1.
What is the InChIKey of N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is MQEDNCROSLPRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2/c1-29-24(27-21(30)15-16-3-9-20(31-2)10-4-16)22(17-11-13-26-14-12-17)23(28-29)18-5-7-19(25)8-6-18/h3-14H,15H2,1-2H3,(H,27,30).
What are the key properties of N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-methoxyphenyl)acetamide?
N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 416.46 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 18674002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).